1-[2-(dimethylamino)ethyl]-3-(4,7-dimethyl-[1,3]thiazolo[5,4-g][1,3]benzothiazol-2-yl)urea;N,3-dimethyl-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide;6-(2-morpholin-4-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide;1-(2-piperidin-1-ylethyl)-3-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)urea;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)quinoline-3-carboxamide

C111H96N24O8S12 — CID 160734120

IUPAC1-[2-(dimethylamino)ethyl]-3-(4,7-dimethyl-[1,3]thiazolo[5,4-g][1,3]benzothiazol-2-yl)urea;N,3-dimethyl-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide;6-(2-morpholin-4-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide;1-(2-piperidin-1-ylethyl)-3-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)urea;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)quinoline-3-carboxamide
SMILESCc1cccc(C(=O)N(C)c2nc3ccc4sc(C)nc4c3s2)c1.Cc1nc2c(cc(C)c3nc(NC(=O)NCCN(C)C)sc32)s1.O=C(NCCN1CCCCC1)Nc1nc2ccc3scnc3c2s1.O=C(Nc1nc2ccc3scnc3c2s1)c1ccc2cc(OCCN3CCOCC3)ccc2c1.O=C(Nc1nc2ccc3scnc3c2s1)c1ccc2ccccc2c1.O=C(Nc1nc2ccc3scnc3c2s1)c1cnc2ccccc2c1
InChIInChI=1S/C25H22N4O3S2.C19H11N3OS2.C18H10N4OS2.C18H15N3OS2.C16H19N5OS2.C15H19N5OS2/c30-24(28-25-27-20-5-6-21-22(23(20)34-25)26-15-33-21)18-2-1-17-14-19(4-3-16(17)13-18)32-12-9-29-7-10-31-11-8-29;23-18(13-6-5-11-3-1-2-4-12(11)9-13)22-19-21-14-7-8-15-16(17(14)25-19)20-10-24-15;23-17(11-7-10-3-1-2-4-12(10)19-8-11)22-18-21-13-5-6-14-15(16(13)25-18)20-9-24-14;1-10-5-4-6-12(9-10)17(22)21(3)18-20-13-7-8-14-15(16(13)24-18)19-11(2)23-14;22-15(17-6-9-21-7-2-1-3-8-21)20-16-19-11-4-5-12-13(14(11)24-16)18-10-23-12;1-8-7-10-12(17-9(2)22-10)13-11(8)18-15(23-13)19-14(21)16-5-6-20(3)4/h1-6,13-15H,7-12H2,(H,27,28,30);1-10H,(H,21,22,23);1-9H,(H,21,22,23);4-9H,1-3H3;4-5,10H,1-3,6-9H2,(H2,17,19,20,22);7H,5-6H2,1-4H3,(H2,16,18,19,21)
InChIKeyRUSLQPDFAIFDSA-UHFFFAOYSA-N
MW2278.95 g/mol
LogP26.56
Rot. Bonds20

About 1-[2-(dimethylamino)ethyl]-3-(4,7-dimethyl-[1,3]thiazolo[5,4-g][1,3]benzothiazol-2-yl)urea;N,3-dimethyl-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide;6-(2-morpholin-4-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide;1-(2-piperidin-1-ylethyl)-3-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)urea;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)quinoline-3-carboxamide

1-[2-(dimethylamino)ethyl]-3-(4,7-dimethyl-[1,3]thiazolo[5,4-g][1,3]benzothiazol-2-yl)urea;N,3-dimethyl-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide;6-(2-morpholin-4-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide;1-(2-piperidin-1-ylethyl)-3-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)urea;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)quinoline-3-carboxamide (PubChem CID 160734120) has the molecular formula C111H96N24O8S12 and a molecular weight of 2278.95 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3-(4,7-dimethyl-[1,3]thiazolo[5,4-g][1,3]benzothiazol-2-yl)urea;N,3-dimethyl-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide;6-(2-morpholin-4-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide;1-(2-piperidin-1-ylethyl)-3-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)urea;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)quinoline-3-carboxamide.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3-(4,7-dimethyl-[1,3]thiazolo[5,4-g][1,3]benzothiazol-2-yl)urea;N,3-dimethyl-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide;6-(2-morpholin-4-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide;1-(2-piperidin-1-ylethyl)-3-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)urea;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)quinoline-3-carboxamide
PubChem CID160734120
Molecular FormulaC111H96N24O8S12
Molecular Weight2278.95 g/mol
Exact Mass2276.45
IUPAC Name1-[2-(dimethylamino)ethyl]-3-(4,7-dimethyl-[1,3]thiazolo[5,4-g][1,3]benzothiazol-2-yl)urea;N,3-dimethyl-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide;6-(2-morpholin-4-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide;1-(2-piperidin-1-ylethyl)-3-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)urea;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)quinoline-3-carboxamide
SMILESCc1cccc(C(=O)N(C)c2nc3ccc4sc(C)nc4c3s2)c1.Cc1nc2c(cc(C)c3nc(NC(=O)NCCN(C)C)sc32)s1.O=C(NCCN1CCCCC1)Nc1nc2ccc3scnc3c2s1.O=C(Nc1nc2ccc3scnc3c2s1)c1ccc2cc(OCCN3CCOCC3)ccc2c1.O=C(Nc1nc2ccc3scnc3c2s1)c1ccc2ccccc2c1.O=C(Nc1nc2ccc3scnc3c2s1)c1cnc2ccccc2c1
InChIInChI=1S/C25H22N4O3S2.C19H11N3OS2.C18H10N4OS2.C18H15N3OS2.C16H19N5OS2.C15H19N5OS2/c30-24(28-25-27-20-5-6-21-22(23(20)34-25)26-15-33-21)18-2-1-17-14-19(4-3-16(17)13-18)32-12-9-29-7-10-31-11-8-29;23-18(13-6-5-11-3-1-2-4-12(11)9-13)22-19-21-14-7-8-15-16(17(14)25-19)20-10-24-15;23-17(11-7-10-3-1-2-4-12(10)19-8-11)22-18-21-13-5-6-14-15(16(13)25-18)20-9-24-14;1-10-5-4-6-12(9-10)17(22)21(3)18-20-13-7-8-14-15(16(13)24-18)19-11(2)23-14;22-15(17-6-9-21-7-2-1-3-8-21)20-16-19-11-4-5-12-13(14(11)24-16)18-10-23-12;1-8-7-10-12(17-9(2)22-10)13-11(8)18-15(23-13)19-14(21)16-5-6-20(3)4/h1-6,13-15H,7-12H2,(H,27,28,30);1-10H,(H,21,22,23);1-9H,(H,21,22,23);4-9H,1-3H3;4-5,10H,1-3,6-9H2,(H2,17,19,20,22);7H,5-6H2,1-4H3,(H2,16,18,19,21)
InChIKeyRUSLQPDFAIFDSA-UHFFFAOYSA-N
XLogP26.56
TPSA385.62 Ų
H-Bond Donors7
H-Bond Acceptors36
Rotatable Bonds20
Heavy Atoms155
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002278.95
LogP ≤ 526.56
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1036

Analyze 1-[2-(dimethylamino)ethyl]-3-(4,7-dimethyl-[1,3]thiazolo[5,4-g][1,3]benzothiazol-2-yl)urea;N,3-dimethyl-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide;6-(2-morpholin-4-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide;1-(2-piperidin-1-ylethyl)-3-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)urea;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)quinoline-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-3-(4,7-dimethyl-[1,3]thiazolo[5,4-g][1,3]benzothiazol-2-yl)urea;N,3-dimethyl-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide;6-(2-morpholin-4-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide;1-(2-piperidin-1-ylethyl)-3-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)urea;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)quinoline-3-carboxamide?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3-(4,7-dimethyl-[1,3]thiazolo[5,4-g][1,3]benzothiazol-2-yl)urea;N,3-dimethyl-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide;6-(2-morpholin-4-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide;1-(2-piperidin-1-ylethyl)-3-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)urea;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)quinoline-3-carboxamide (CID 160734120) is 1-[2-(dimethylamino)ethyl]-3-(4,7-dimethyl-[1,3]thiazolo[5,4-g][1,3]benzothiazol-2-yl)urea;N,3-dimethyl-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide;6-(2-morpholin-4-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide;1-(2-piperidin-1-ylethyl)-3-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)urea;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)quinoline-3-carboxamide.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3-(4,7-dimethyl-[1,3]thiazolo[5,4-g][1,3]benzothiazol-2-yl)urea;N,3-dimethyl-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide;6-(2-morpholin-4-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide;1-(2-piperidin-1-ylethyl)-3-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)urea;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)quinoline-3-carboxamide?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3-(4,7-dimethyl-[1,3]thiazolo[5,4-g][1,3]benzothiazol-2-yl)urea;N,3-dimethyl-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide;6-(2-morpholin-4-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide;1-(2-piperidin-1-ylethyl)-3-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)urea;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)quinoline-3-carboxamide is Cc1cccc(C(=O)N(C)c2nc3ccc4sc(C)nc4c3s2)c1.Cc1nc2c(cc(C)c3nc(NC(=O)NCCN(C)C)sc32)s1.O=C(NCCN1CCCCC1)Nc1nc2ccc3scnc3c2s1.O=C(Nc1nc2ccc3scnc3c2s1)c1ccc2cc(OCCN3CCOCC3)ccc2c1.O=C(Nc1nc2ccc3scnc3c2s1)c1ccc2ccccc2c1.O=C(Nc1nc2ccc3scnc3c2s1)c1cnc2ccccc2c1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3-(4,7-dimethyl-[1,3]thiazolo[5,4-g][1,3]benzothiazol-2-yl)urea;N,3-dimethyl-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide;6-(2-morpholin-4-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide;1-(2-piperidin-1-ylethyl)-3-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)urea;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)quinoline-3-carboxamide?
The InChIKey is RUSLQPDFAIFDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3S2.C19H11N3OS2.C18H10N4OS2.C18H15N3OS2.C16H19N5OS2.C15H19N5OS2/c30-24(28-25-27-20-5-6-21-22(23(20)34-25)26-15-33-21)18-2-1-17-14-19(4-3-16(17)13-18)32-12-9-29-7-10-31-11-8-29;23-18(13-6-5-11-3-1-2-4-12(11)9-13)22-19-21-14-7-8-15-16(17(14)25-19)20-10-24-15;23-17(11-7-10-3-1-2-4-12(10)19-8-11)22-18-21-13-5-6-14-15(16(13)25-18)20-9-24-14;1-10-5-4-6-12(9-10)17(22)21(3)18-20-13-7-8-14-15(16(13)24-18)19-11(2)23-14;22-15(17-6-9-21-7-2-1-3-8-21)20-16-19-11-4-5-12-13(14(11)24-16)18-10-23-12;1-8-7-10-12(17-9(2)22-10)13-11(8)18-15(23-13)19-14(21)16-5-6-20(3)4/h1-6,13-15H,7-12H2,(H,27,28,30);1-10H,(H,21,22,23);1-9H,(H,21,22,23);4-9H,1-3H3;4-5,10H,1-3,6-9H2,(H2,17,19,20,22);7H,5-6H2,1-4H3,(H2,16,18,19,21).
What are the key properties of 1-[2-(dimethylamino)ethyl]-3-(4,7-dimethyl-[1,3]thiazolo[5,4-g][1,3]benzothiazol-2-yl)urea;N,3-dimethyl-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide;6-(2-morpholin-4-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide;1-(2-piperidin-1-ylethyl)-3-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)urea;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)quinoline-3-carboxamide?
1-[2-(dimethylamino)ethyl]-3-(4,7-dimethyl-[1,3]thiazolo[5,4-g][1,3]benzothiazol-2-yl)urea;N,3-dimethyl-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide;6-(2-morpholin-4-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide;1-(2-piperidin-1-ylethyl)-3-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)urea;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)quinoline-3-carboxamide has a molecular weight of 2278.95 g/mol, XLogP of 26.56, 20 rotatable bonds, 7 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-3-(4,7-dimethyl-[1,3]thiazolo[5,4-g][1,3]benzothiazol-2-yl)urea;N,3-dimethyl-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide;6-(2-morpholin-4-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide;1-(2-piperidin-1-ylethyl)-3-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)urea;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)quinoline-3-carboxamide is sourced from PubChem (CID 160734120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).