1-butyl-3-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]urea;1-(2-ethoxyethyl)-3-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]urea;1-(3-ethoxypropyl)-3-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]urea;1-(3-methoxypropyl)-3-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]urea;1-(3-methoxypropyl)-3-[5-(5-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea;1-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]-3-(3-propan-2-yloxypropyl)urea;1-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]-3-(2-propoxyethyl)urea;1-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]-3-(3-propoxypropyl)urea;1-[5-(5-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-(2-propoxyethyl)urea;1-[5-(5-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-(3-propoxypropyl)urea

C186H215N43O19S10 — CID 159924903

IUPAC1-butyl-3-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]urea;1-(2-ethoxyethyl)-3-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]urea;1-(3-ethoxypropyl)-3-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]urea;1-(3-methoxypropyl)-3-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]urea;1-(3-methoxypropyl)-3-[5-(5-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea;1-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]-3-(3-propan-2-yloxypropyl)urea;1-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]-3-(2-propoxyethyl)urea;1-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]-3-(3-propoxypropyl)urea;1-[5-(5-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-(2-propoxyethyl)urea;1-[5-(5-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-(3-propoxypropyl)urea
SMILESCCCCNC(=O)Nc1nc2ccc(-c3cncc(C)c3)cc2s1.CCCOCCCNC(=O)Nc1nc2ccc(-c3cncc(C)c3)cc2s1.CCCOCCCNC(=O)Nc1nc2ccc(-c3cncc(C)c3)nc2s1.CCCOCCNC(=O)Nc1nc2ccc(-c3cncc(C)c3)cc2s1.CCCOCCNC(=O)Nc1nc2ccc(-c3cncc(C)c3)nc2s1.CCOCCCNC(=O)Nc1nc2ccc(-c3cncc(C)c3)cc2s1.CCOCCNC(=O)Nc1nc2ccc(-c3cncc(C)c3)cc2s1.COCCCNC(=O)Nc1nc2ccc(-c3cncc(C)c3)cc2s1.COCCCNC(=O)Nc1nc2ccc(-c3cncc(C)c3)nc2s1.Cc1cncc(-c2ccc3nc(NC(=O)NCCCOC(C)C)sc3c2)c1
InChIInChI=1S/2C20H24N4O2S.C19H23N5O2S.2C19H22N4O2S.C18H21N5O2S.2C18H20N4O2S.C18H20N4OS.C17H19N5O2S/c1-13(2)26-8-4-7-22-19(25)24-20-23-17-6-5-15(10-18(17)27-20)16-9-14(3)11-21-12-16;1-3-8-26-9-4-7-22-19(25)24-20-23-17-6-5-15(11-18(17)27-20)16-10-14(2)12-21-13-16;1-3-8-26-9-4-7-21-18(25)24-19-23-16-6-5-15(22-17(16)27-19)14-10-13(2)11-20-12-14;1-3-25-8-4-7-21-18(24)23-19-22-16-6-5-14(10-17(16)26-19)15-9-13(2)11-20-12-15;1-3-7-25-8-6-21-18(24)23-19-22-16-5-4-14(10-17(16)26-19)15-9-13(2)11-20-12-15;1-3-7-25-8-6-20-17(24)23-18-22-15-5-4-14(21-16(15)26-18)13-9-12(2)10-19-11-13;1-12-8-14(11-19-10-12)13-4-5-15-16(9-13)25-18(21-15)22-17(23)20-6-3-7-24-2;1-3-24-7-6-20-17(23)22-18-21-15-5-4-13(9-16(15)25-18)14-8-12(2)10-19-11-14;1-3-4-7-20-17(23)22-18-21-15-6-5-13(9-16(15)24-18)14-8-12(2)10-19-11-14;1-11-8-12(10-18-9-11)13-4-5-14-15(20-13)25-17(21-14)22-16(23)19-6-3-7-24-2/h5-6,9-13H,4,7-8H2,1-3H3,(H2,22,23,24,25);5-6,10-13H,3-4,7-9H2,1-2H3,(H2,22,23,24,25);5-6,10-12H,3-4,7-9H2,1-2H3,(H2,21,23,24,25);5-6,9-12H,3-4,7-8H2,1-2H3,(H2,21,22,23,24);4-5,9-12H,3,6-8H2,1-2H3,(H2,21,22,23,24);4-5,9-11H,3,6-8H2,1-2H3,(H2,20,22,23,24);2*4-5,8-11H,3,6-7H2,1-2H3,(H2,20,21,22,23);5-6,8-11H,3-4,7H2,1-2H3,(H2,20,21,22,23);4-5,8-10H,3,6-7H2,1-2H3,(H2,19,21,22,23)
InChIKeyNYWPSEXMSOUJLP-UHFFFAOYSA-N
MW3677.72 g/mol
LogP40.71
Rot. Bonds67

About 1-butyl-3-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]urea;1-(2-ethoxyethyl)-3-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]urea;1-(3-ethoxypropyl)-3-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]urea;1-(3-methoxypropyl)-3-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]urea;1-(3-methoxypropyl)-3-[5-(5-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea;1-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]-3-(3-propan-2-yloxypropyl)urea;1-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]-3-(2-propoxyethyl)urea;1-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]-3-(3-propoxypropyl)urea;1-[5-(5-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-(2-propoxyethyl)urea;1-[5-(5-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-(3-propoxypropyl)urea

1-butyl-3-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]urea;1-(2-ethoxyethyl)-3-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]urea;1-(3-ethoxypropyl)-3-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]urea;1-(3-methoxypropyl)-3-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]urea;1-(3-methoxypropyl)-3-[5-(5-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea;1-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]-3-(3-propan-2-yloxypropyl)urea;1-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]-3-(2-propoxyethyl)urea;1-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]-3-(3-propoxypropyl)urea;1-[5-(5-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-(2-propoxyethyl)urea;1-[5-(5-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-(3-propoxypropyl)urea (PubChem CID 159924903) has the molecular formula C186H215N43O19S10 and a molecular weight of 3677.72 g/mol. Its IUPAC name is 1-butyl-3-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]urea;1-(2-ethoxyethyl)-3-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]urea;1-(3-ethoxypropyl)-3-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]urea;1-(3-methoxypropyl)-3-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]urea;1-(3-methoxypropyl)-3-[5-(5-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea;1-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]-3-(3-propan-2-yloxypropyl)urea;1-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]-3-(2-propoxyethyl)urea;1-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]-3-(3-propoxypropyl)urea;1-[5-(5-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-(2-propoxyethyl)urea;1-[5-(5-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-(3-propoxypropyl)urea.

Molecular Properties

Compound Name1-butyl-3-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]urea;1-(2-ethoxyethyl)-3-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]urea;1-(3-ethoxypropyl)-3-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]urea;1-(3-methoxypropyl)-3-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]urea;1-(3-methoxypropyl)-3-[5-(5-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea;1-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]-3-(3-propan-2-yloxypropyl)urea;1-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]-3-(2-propoxyethyl)urea;1-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]-3-(3-propoxypropyl)urea;1-[5-(5-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-(2-propoxyethyl)urea;1-[5-(5-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-(3-propoxypropyl)urea
PubChem CID159924903
Molecular FormulaC186H215N43O19S10
Molecular Weight3677.72 g/mol
Exact Mass3674.44
IUPAC Name1-butyl-3-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]urea;1-(2-ethoxyethyl)-3-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]urea;1-(3-ethoxypropyl)-3-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]urea;1-(3-methoxypropyl)-3-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]urea;1-(3-methoxypropyl)-3-[5-(5-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea;1-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]-3-(3-propan-2-yloxypropyl)urea;1-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]-3-(2-propoxyethyl)urea;1-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]-3-(3-propoxypropyl)urea;1-[5-(5-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-(2-propoxyethyl)urea;1-[5-(5-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-(3-propoxypropyl)urea
SMILESCCCCNC(=O)Nc1nc2ccc(-c3cncc(C)c3)cc2s1.CCCOCCCNC(=O)Nc1nc2ccc(-c3cncc(C)c3)cc2s1.CCCOCCCNC(=O)Nc1nc2ccc(-c3cncc(C)c3)nc2s1.CCCOCCNC(=O)Nc1nc2ccc(-c3cncc(C)c3)cc2s1.CCCOCCNC(=O)Nc1nc2ccc(-c3cncc(C)c3)nc2s1.CCOCCCNC(=O)Nc1nc2ccc(-c3cncc(C)c3)cc2s1.CCOCCNC(=O)Nc1nc2ccc(-c3cncc(C)c3)cc2s1.COCCCNC(=O)Nc1nc2ccc(-c3cncc(C)c3)cc2s1.COCCCNC(=O)Nc1nc2ccc(-c3cncc(C)c3)nc2s1.Cc1cncc(-c2ccc3nc(NC(=O)NCCCOC(C)C)sc3c2)c1
InChIInChI=1S/2C20H24N4O2S.C19H23N5O2S.2C19H22N4O2S.C18H21N5O2S.2C18H20N4O2S.C18H20N4OS.C17H19N5O2S/c1-13(2)26-8-4-7-22-19(25)24-20-23-17-6-5-15(10-18(17)27-20)16-9-14(3)11-21-12-16;1-3-8-26-9-4-7-22-19(25)24-20-23-17-6-5-15(11-18(17)27-20)16-10-14(2)12-21-13-16;1-3-8-26-9-4-7-21-18(25)24-19-23-16-6-5-15(22-17(16)27-19)14-10-13(2)11-20-12-14;1-3-25-8-4-7-21-18(24)23-19-22-16-6-5-14(10-17(16)26-19)15-9-13(2)11-20-12-15;1-3-7-25-8-6-21-18(24)23-19-22-16-5-4-14(10-17(16)26-19)15-9-13(2)11-20-12-15;1-3-7-25-8-6-20-17(24)23-18-22-15-5-4-14(21-16(15)26-18)13-9-12(2)10-19-11-13;1-12-8-14(11-19-10-12)13-4-5-15-16(9-13)25-18(21-15)22-17(23)20-6-3-7-24-2;1-3-24-7-6-20-17(23)22-18-21-15-5-4-13(9-16(15)25-18)14-8-12(2)10-19-11-14;1-3-4-7-20-17(23)22-18-21-15-6-5-13(9-16(15)24-18)14-8-12(2)10-19-11-14;1-11-8-12(10-18-9-11)13-4-5-14-15(20-13)25-17(21-14)22-16(23)19-6-3-7-24-2/h5-6,9-13H,4,7-8H2,1-3H3,(H2,22,23,24,25);5-6,10-13H,3-4,7-9H2,1-2H3,(H2,22,23,24,25);5-6,10-12H,3-4,7-9H2,1-2H3,(H2,21,23,24,25);5-6,9-12H,3-4,7-8H2,1-2H3,(H2,21,22,23,24);4-5,9-12H,3,6-8H2,1-2H3,(H2,21,22,23,24);4-5,9-11H,3,6-8H2,1-2H3,(H2,20,22,23,24);2*4-5,8-11H,3,6-7H2,1-2H3,(H2,20,21,22,23);5-6,8-11H,3-4,7H2,1-2H3,(H2,20,21,22,23);4-5,8-10H,3,6-7H2,1-2H3,(H2,19,21,22,23)
InChIKeyNYWPSEXMSOUJLP-UHFFFAOYSA-N
XLogP40.71
TPSA790.84 Ų
H-Bond Donors20
H-Bond Acceptors52
Rotatable Bonds67
Heavy Atoms258
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003677.72
LogP ≤ 540.71
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1052

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-butyl-3-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]urea;1-(2-ethoxyethyl)-3-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]urea;1-(3-ethoxypropyl)-3-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]urea;1-(3-methoxypropyl)-3-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]urea;1-(3-methoxypropyl)-3-[5-(5-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea;1-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]-3-(3-propan-2-yloxypropyl)urea;1-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]-3-(2-propoxyethyl)urea;1-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]-3-(3-propoxypropyl)urea;1-[5-(5-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-(2-propoxyethyl)urea;1-[5-(5-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-(3-propoxypropyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 161157625
CID 161157625
Cyclohexyl 6-(2-acetamido-1,3-benzothiazol-6-yl)imidazo[4,5-b]pyridine-1-carboxylate;cyclohexyl 6-(2-acetamido-1,3-benzothiazol-6-yl)pyrrolo[3,2-b]pyridine-1-carboxylate;(4,4-difluorocyclohexyl) 6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate;oxan-4-yl 6-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]pyrrolo[3,2-b]pyridine-1-carboxylate
CID 165039423
N-[5-[2-acetamido-4-[1-[2-[[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]amino]-2-oxoethyl]piperidin-2-yl]-1,3-benzothiazol-6-yl]-2-methyl-3-pyridinyl]-2-morpholin-4-ylacetamide
CID 139495073
cyclohexyl 7-(2-acetamido-1,3-benzothiazol-6-yl)-4-cyclopropyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxylate;cyclohexyl 7-(2-acetamido-1,3-benzothiazol-6-yl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate;cyclohexyl 7-(2-acetamido-1,3-benzothiazol-6-yl)-4-ethyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxylate;oxan-4-yl 7-(2-acetamido-1,3-benzothiazol-6-yl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate;oxan-4-yl 7-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
CID 157194932
tert-butyl N-methyl-N-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]carbamate;tert-butyl N-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]carbamate;3-methyl-6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-imine;N-methyl-6-(4-methyl-2H-pyridin-2-ylium-5-yl)-1,3-benzothiazol-2-amine;6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine
CID 157684895
Oxan-4-yl 6-(2-amino-1,3-benzothiazol-6-yl)-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;oxan-4-yl 6-[2-(methylcarbamoylamino)-1,3-benzothiazol-6-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate
CID 157797161
1-Ethyl-3-[5-[2-(1-hydroxyethyl)pyrimidin-5-yl]-7-[6-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]pyrimidin-4-yl]-1,3-benzothiazol-2-yl]urea;1-ethyl-3-[5-[2-(1-hydroxy-2-morpholin-4-ylethyl)pyrimidin-5-yl]-7-pyridin-2-yl-1,3-benzothiazol-2-yl]urea;1-[5-[2-(1-hydroxyethyl)pyrimidin-5-yl]-7-pyridin-2-yl-1,3-benzothiazol-2-yl]-3-methylurea;1-[5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-7-pyridin-2-yl-1,3-benzothiazol-2-yl]-3-methylurea
CID 157862988
N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(dimethylamino)propanamide;N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(methylamino)propanamide;N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(4-methylpiperazin-1-yl)propanamide;N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-morpholin-4-ylpropanamide;N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(pyridin-3-ylamino)propanamide
CID 157868226
3-bromo-5-methylpyridine;6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;N-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide;N-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]imidazole-1-carboxamide;1-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]-3-(3-propan-2-yloxypropyl)urea;3-propan-2-yloxypropan-1-amine;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide
CID 158123488
cyclohexyl 7-(2-acetamido-1,3-benzothiazol-6-yl)-4-methyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxylate;oxan-4-yl 7-(2-acetamido-1,3-benzothiazol-6-yl)-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-1-carboxylate;oxan-4-yl 7-(2-acetamido-1,3-benzothiazol-6-yl)-4-methyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxylate;oxan-4-yl 7-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-1-carboxylate;oxan-4-yl 7-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-4-methyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxylate
CID 158246505
tert-butyl N-methyl-N-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]carbamate;tert-butyl N-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]carbamate;N-methyl-6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;3-methyl-6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-imine;6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine
CID 158752565
1-[6-[7-(1-Acetylpiperidin-4-yl)-4-aminopyrrolo[2,3-d]pyrimidin-5-yl]-1,3-benzothiazol-2-yl]-3-methylurea;1-[6-[4-amino-7-(oxan-4-yl)pyrrolo[2,3-d]pyrimidin-5-yl]-1,3-benzothiazol-2-yl]-3-methylurea;1-[6-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-1,3-benzothiazol-2-yl]-3-methylurea
CID 158899748

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]urea;1-(2-ethoxyethyl)-3-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]urea;1-(3-ethoxypropyl)-3-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]urea;1-(3-methoxypropyl)-3-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]urea;1-(3-methoxypropyl)-3-[5-(5-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea;1-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]-3-(3-propan-2-yloxypropyl)urea;1-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]-3-(2-propoxyethyl)urea;1-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]-3-(3-propoxypropyl)urea;1-[5-(5-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-(2-propoxyethyl)urea;1-[5-(5-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-(3-propoxypropyl)urea?
The IUPAC name of 1-butyl-3-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]urea;1-(2-ethoxyethyl)-3-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]urea;1-(3-ethoxypropyl)-3-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]urea;1-(3-methoxypropyl)-3-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]urea;1-(3-methoxypropyl)-3-[5-(5-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea;1-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]-3-(3-propan-2-yloxypropyl)urea;1-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]-3-(2-propoxyethyl)urea;1-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]-3-(3-propoxypropyl)urea;1-[5-(5-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-(2-propoxyethyl)urea;1-[5-(5-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-(3-propoxypropyl)urea (CID 159924903) is 1-butyl-3-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]urea;1-(2-ethoxyethyl)-3-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]urea;1-(3-ethoxypropyl)-3-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]urea;1-(3-methoxypropyl)-3-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]urea;1-(3-methoxypropyl)-3-[5-(5-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea;1-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]-3-(3-propan-2-yloxypropyl)urea;1-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]-3-(2-propoxyethyl)urea;1-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]-3-(3-propoxypropyl)urea;1-[5-(5-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-(2-propoxyethyl)urea;1-[5-(5-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-(3-propoxypropyl)urea.
What is the SMILES notation for 1-butyl-3-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]urea;1-(2-ethoxyethyl)-3-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]urea;1-(3-ethoxypropyl)-3-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]urea;1-(3-methoxypropyl)-3-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]urea;1-(3-methoxypropyl)-3-[5-(5-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea;1-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]-3-(3-propan-2-yloxypropyl)urea;1-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]-3-(2-propoxyethyl)urea;1-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]-3-(3-propoxypropyl)urea;1-[5-(5-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-(2-propoxyethyl)urea;1-[5-(5-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-(3-propoxypropyl)urea?
The canonical SMILES for 1-butyl-3-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]urea;1-(2-ethoxyethyl)-3-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]urea;1-(3-ethoxypropyl)-3-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]urea;1-(3-methoxypropyl)-3-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]urea;1-(3-methoxypropyl)-3-[5-(5-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea;1-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]-3-(3-propan-2-yloxypropyl)urea;1-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]-3-(2-propoxyethyl)urea;1-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]-3-(3-propoxypropyl)urea;1-[5-(5-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-(2-propoxyethyl)urea;1-[5-(5-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-(3-propoxypropyl)urea is CCCCNC(=O)Nc1nc2ccc(-c3cncc(C)c3)cc2s1.CCCOCCCNC(=O)Nc1nc2ccc(-c3cncc(C)c3)cc2s1.CCCOCCCNC(=O)Nc1nc2ccc(-c3cncc(C)c3)nc2s1.CCCOCCNC(=O)Nc1nc2ccc(-c3cncc(C)c3)cc2s1.CCCOCCNC(=O)Nc1nc2ccc(-c3cncc(C)c3)nc2s1.CCOCCCNC(=O)Nc1nc2ccc(-c3cncc(C)c3)cc2s1.CCOCCNC(=O)Nc1nc2ccc(-c3cncc(C)c3)cc2s1.COCCCNC(=O)Nc1nc2ccc(-c3cncc(C)c3)cc2s1.COCCCNC(=O)Nc1nc2ccc(-c3cncc(C)c3)nc2s1.Cc1cncc(-c2ccc3nc(NC(=O)NCCCOC(C)C)sc3c2)c1.
What is the InChIKey of 1-butyl-3-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]urea;1-(2-ethoxyethyl)-3-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]urea;1-(3-ethoxypropyl)-3-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]urea;1-(3-methoxypropyl)-3-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]urea;1-(3-methoxypropyl)-3-[5-(5-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea;1-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]-3-(3-propan-2-yloxypropyl)urea;1-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]-3-(2-propoxyethyl)urea;1-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]-3-(3-propoxypropyl)urea;1-[5-(5-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-(2-propoxyethyl)urea;1-[5-(5-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-(3-propoxypropyl)urea?
The InChIKey is NYWPSEXMSOUJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H24N4O2S.C19H23N5O2S.2C19H22N4O2S.C18H21N5O2S.2C18H20N4O2S.C18H20N4OS.C17H19N5O2S/c1-13(2)26-8-4-7-22-19(25)24-20-23-17-6-5-15(10-18(17)27-20)16-9-14(3)11-21-12-16;1-3-8-26-9-4-7-22-19(25)24-20-23-17-6-5-15(11-18(17)27-20)16-10-14(2)12-21-13-16;1-3-8-26-9-4-7-21-18(25)24-19-23-16-6-5-15(22-17(16)27-19)14-10-13(2)11-20-12-14;1-3-25-8-4-7-21-18(24)23-19-22-16-6-5-14(10-17(16)26-19)15-9-13(2)11-20-12-15;1-3-7-25-8-6-21-18(24)23-19-22-16-5-4-14(10-17(16)26-19)15-9-13(2)11-20-12-15;1-3-7-25-8-6-20-17(24)23-18-22-15-5-4-14(21-16(15)26-18)13-9-12(2)10-19-11-13;1-12-8-14(11-19-10-12)13-4-5-15-16(9-13)25-18(21-15)22-17(23)20-6-3-7-24-2;1-3-24-7-6-20-17(23)22-18-21-15-5-4-13(9-16(15)25-18)14-8-12(2)10-19-11-14;1-3-4-7-20-17(23)22-18-21-15-6-5-13(9-16(15)24-18)14-8-12(2)10-19-11-14;1-11-8-12(10-18-9-11)13-4-5-14-15(20-13)25-17(21-14)22-16(23)19-6-3-7-24-2/h5-6,9-13H,4,7-8H2,1-3H3,(H2,22,23,24,25);5-6,10-13H,3-4,7-9H2,1-2H3,(H2,22,23,24,25);5-6,10-12H,3-4,7-9H2,1-2H3,(H2,21,23,24,25);5-6,9-12H,3-4,7-8H2,1-2H3,(H2,21,22,23,24);4-5,9-12H,3,6-8H2,1-2H3,(H2,21,22,23,24);4-5,9-11H,3,6-8H2,1-2H3,(H2,20,22,23,24);2*4-5,8-11H,3,6-7H2,1-2H3,(H2,20,21,22,23);5-6,8-11H,3-4,7H2,1-2H3,(H2,20,21,22,23);4-5,8-10H,3,6-7H2,1-2H3,(H2,19,21,22,23).
What are the key properties of 1-butyl-3-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]urea;1-(2-ethoxyethyl)-3-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]urea;1-(3-ethoxypropyl)-3-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]urea;1-(3-methoxypropyl)-3-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]urea;1-(3-methoxypropyl)-3-[5-(5-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea;1-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]-3-(3-propan-2-yloxypropyl)urea;1-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]-3-(2-propoxyethyl)urea;1-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]-3-(3-propoxypropyl)urea;1-[5-(5-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-(2-propoxyethyl)urea;1-[5-(5-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-(3-propoxypropyl)urea?
1-butyl-3-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]urea;1-(2-ethoxyethyl)-3-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]urea;1-(3-ethoxypropyl)-3-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]urea;1-(3-methoxypropyl)-3-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]urea;1-(3-methoxypropyl)-3-[5-(5-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea;1-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]-3-(3-propan-2-yloxypropyl)urea;1-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]-3-(2-propoxyethyl)urea;1-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]-3-(3-propoxypropyl)urea;1-[5-(5-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-(2-propoxyethyl)urea;1-[5-(5-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-(3-propoxypropyl)urea has a molecular weight of 3677.72 g/mol, XLogP of 40.71, 67 rotatable bonds, 20 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]urea;1-(2-ethoxyethyl)-3-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]urea;1-(3-ethoxypropyl)-3-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]urea;1-(3-methoxypropyl)-3-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]urea;1-(3-methoxypropyl)-3-[5-(5-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea;1-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]-3-(3-propan-2-yloxypropyl)urea;1-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]-3-(2-propoxyethyl)urea;1-[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]-3-(3-propoxypropyl)urea;1-[5-(5-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-(2-propoxyethyl)urea;1-[5-(5-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-(3-propoxypropyl)urea is sourced from PubChem (CID 159924903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).