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

C78H77N15O4S5 — CID 158752565

IUPACtert-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
SMILESCNc1nc2ccc(-c3cnccc3C)cc2s1.Cc1ccncc1-c1ccc2nc(N(C)C(=O)OC(C)(C)C)sc2c1.Cc1ccncc1-c1ccc2nc(N)sc2c1.Cc1ccncc1-c1ccc2nc(NC(=O)OC(C)(C)C)sc2c1.[H]/N=c1\sc2cc(-c3cnccc3C)ccc2n1C
InChIInChI=1S/C19H21N3O2S.C18H19N3O2S.2C14H13N3S.C13H11N3S/c1-12-8-9-20-11-14(12)13-6-7-15-16(10-13)25-17(21-15)22(5)18(23)24-19(2,3)4;1-11-7-8-19-10-13(11)12-5-6-14-15(9-12)24-16(20-14)21-17(22)23-18(2,3)4;1-9-5-6-16-8-11(9)10-3-4-12-13(7-10)18-14(15)17(12)2;1-9-5-6-16-8-11(9)10-3-4-12-13(7-10)18-14(15-2)17-12;1-8-4-5-15-7-10(8)9-2-3-11-12(6-9)17-13(14)16-11/h6-11H,1-5H3;5-10H,1-4H3,(H,20,21,22);3-8,15H,1-2H3;3-8H,1-2H3,(H,15,17);2-7H,1H3,(H2,14,16)/b;;15-14-;;
InChIKeyINQXJLOZUKWHMX-PPOIPBJPSA-N
MW1448.91 g/mol
LogP20.10
Rot. Bonds8

About 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

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 (PubChem CID 158752565) has the molecular formula C78H77N15O4S5 and a molecular weight of 1448.91 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametert-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
PubChem CID158752565
Molecular FormulaC78H77N15O4S5
Molecular Weight1448.91 g/mol
Exact Mass1447.49
IUPAC Nametert-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
SMILESCNc1nc2ccc(-c3cnccc3C)cc2s1.Cc1ccncc1-c1ccc2nc(N(C)C(=O)OC(C)(C)C)sc2c1.Cc1ccncc1-c1ccc2nc(N)sc2c1.Cc1ccncc1-c1ccc2nc(NC(=O)OC(C)(C)C)sc2c1.[H]/N=c1\sc2cc(-c3cnccc3C)ccc2n1C
InChIInChI=1S/C19H21N3O2S.C18H19N3O2S.2C14H13N3S.C13H11N3S/c1-12-8-9-20-11-14(12)13-6-7-15-16(10-13)25-17(21-15)22(5)18(23)24-19(2,3)4;1-11-7-8-19-10-13(11)12-5-6-14-15(9-12)24-16(20-14)21-17(22)23-18(2,3)4;1-9-5-6-16-8-11(9)10-3-4-12-13(7-10)18-14(15)17(12)2;1-9-5-6-16-8-11(9)10-3-4-12-13(7-10)18-14(15-2)17-12;1-8-4-5-15-7-10(8)9-2-3-11-12(6-9)17-13(14)16-11/h6-11H,1-5H3;5-10H,1-4H3,(H,20,21,22);3-8,15H,1-2H3;3-8H,1-2H3,(H,15,17);2-7H,1H3,(H2,14,16)/b;;15-14-;;
InChIKeyINQXJLOZUKWHMX-PPOIPBJPSA-N
XLogP20.10
TPSA250.71 Ų
H-Bond Donors4
H-Bond Acceptors22
Rotatable Bonds8
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001448.91
LogP ≤ 520.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1022

Analyze 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 with MolForge

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Related Compounds

N-(4-tert-butylphenyl)-4-(3-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxamide;N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxamide;4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;N-(6-methyl-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxamide;N-(4-methylphenyl)-4-(3-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxamide;N-(4-propan-2-ylphenyl)-4-pyridin-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 160850340
N-(4-tert-butylphenyl)-4-(3-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxamide;N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxamide;4-(3-fluoro-2-pyridinyl)-N-(4-methylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide;N-(6-methyl-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxamide;4-(3-methyl-2-pyridinyl)-N-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide;4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 162116692
2-[2-[2-(4-aminophenyl)ethylamino]pyrimidin-4-yl]-2-(1,3-benzothiazol-2-yl)acetonitrile;2-[3-(1,3-benzothiazol-2-yl)-2-(pyridin-4-ylmethylimino)-1,4-dihydropyrimidin-4-yl]acetonitrile;tert-butyl N-[4-[2-[[4-[1,3-benzothiazol-2-yl(cyano)methyl]pyrimidin-2-yl]amino]ethyl]phenyl]carbamate
CID 136350069
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
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
deuterio(fluoro)methane;1,4-dimethylpyridin-1-ium;4-(6-methyl-1,3-benzothiazol-2-yl)aniline;6-(6-methyl-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine;3-methyl-6-(6-methyl-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-imine;(2Z)-3-methyl-6-(6-methyl-1,3-benzothiazol-2-yl)-2-[(1-methylpyridin-1-ium-4-yl)methylidene]-1,3-benzothiazole
CID 158542871
N-(4-tert-butylphenyl)-4-(3-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxamide;N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxamide;4-(3-fluoro-2-pyridinyl)-N-(4-methylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide;N-(6-methyl-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxamide;N-(4-methylphenyl)-4-(3-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxamide;4-(3-methyl-2-pyridinyl)-N-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 158705142
5-(1,3-benzothiazol-2-yl)-2-(4-ethylpiperazin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;5-benzyl-2-(4-ethylpiperazin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;tert-butyl 2-(4-piperidin-1-ylpiperidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 2-(4-propan-2-ylpiperazin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;2-(4-ethylpiperazin-1-yl)-5-quinolin-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2-(4-piperidin-1-ylpiperidin-1-yl)-5-(1,3-thiazol-2-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 158711166
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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNc1nc2ccc(-c3cnccc3C)cc2s1.Cc1ccncc1-c1ccc2nc(N(C)C(=O)OC(C)(C)C)sc2c1.Cc1ccncc1-c1ccc2nc(N)sc2c1.Cc1ccncc1-c1ccc2nc(NC(=O)OC(C)(C)C)sc2c1.[H]/N=c1\sc2cc(-c3cnccc3C)ccc2n1C.
What is the InChIKey of 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?
The InChIKey is INQXJLOZUKWHMX-PPOIPBJPSA-N. The full InChI is InChI=1S/C19H21N3O2S.C18H19N3O2S.2C14H13N3S.C13H11N3S/c1-12-8-9-20-11-14(12)13-6-7-15-16(10-13)25-17(21-15)22(5)18(23)24-19(2,3)4;1-11-7-8-19-10-13(11)12-5-6-14-15(9-12)24-16(20-14)21-17(22)23-18(2,3)4;1-9-5-6-16-8-11(9)10-3-4-12-13(7-10)18-14(15)17(12)2;1-9-5-6-16-8-11(9)10-3-4-12-13(7-10)18-14(15-2)17-12;1-8-4-5-15-7-10(8)9-2-3-11-12(6-9)17-13(14)16-11/h6-11H,1-5H3;5-10H,1-4H3,(H,20,21,22);3-8,15H,1-2H3;3-8H,1-2H3,(H,15,17);2-7H,1H3,(H2,14,16)/b;;15-14-;;.
What are the key properties of 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?
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 has a molecular weight of 1448.91 g/mol, XLogP of 20.10, 8 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158752565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).