N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

C16H15N3OS3 — CID 46678523

IUPACN-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESCC1CCc2nc(NC(=O)c3csc(-c4cccs4)n3)sc2C1
InChIInChI=1S/C16H15N3OS3/c1-9-4-5-10-13(7-9)23-16(18-10)19-14(20)11-8-22-15(17-11)12-3-2-6-21-12/h2-3,6,8-9H,4-5,7H2,1H3,(H,18,19,20)
InChIKeyPEWBYQSWXNWDNU-UHFFFAOYSA-N
MW361.52 g/mol
LogP4.71
Rot. Bonds3

About N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 46678523) has the molecular formula C16H15N3OS3 and a molecular weight of 361.52 g/mol. Its IUPAC name is N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
PubChem CID46678523
Molecular FormulaC16H15N3OS3
Molecular Weight361.52 g/mol
Exact Mass361.04
IUPAC NameN-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESCC1CCc2nc(NC(=O)c3csc(-c4cccs4)n3)sc2C1
InChIInChI=1S/C16H15N3OS3/c1-9-4-5-10-13(7-9)23-16(18-10)19-14(20)11-8-22-15(17-11)12-3-2-6-21-12/h2-3,6,8-9H,4-5,7H2,1H3,(H,18,19,20)
InChIKeyPEWBYQSWXNWDNU-UHFFFAOYSA-N
XLogP4.71
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.52
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 5132842
5-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 16953633
N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 976760
4-tert-butyl-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
CID 739433
2-[(4-fluorophenoxy)methyl]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 24672363
5-bromo-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]thiophene-2-carboxamide
CID 40820052
N-(1,3-thiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 9043733
4-bromo-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
CID 7064945
4-fluoro-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 3621249
6-chloro-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 17168198
N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-1-oxidopyridin-1-ium-2-carboxamide
CID 94115507
2-acetamido-N-[(6R)-6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-1,3-thiazole-4-carboxamide
CID 95588654

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (CID 46678523) is N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is CC1CCc2nc(NC(=O)c3csc(-c4cccs4)n3)sc2C1.
What is the InChIKey of N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is PEWBYQSWXNWDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS3/c1-9-4-5-10-13(7-9)23-16(18-10)19-14(20)11-8-22-15(17-11)12-3-2-6-21-12/h2-3,6,8-9H,4-5,7H2,1H3,(H,18,19,20).
What are the key properties of N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 361.52 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46678523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).