N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-1,3-benzothiazole-6-carboxamide

C17H13N3OS3 — CID 71795404

IUPACN-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-1,3-benzothiazole-6-carboxamide
SMILESCc1nc(-c2cccs2)sc1CNC(=O)c1ccc2ncsc2c1
InChIInChI=1S/C17H13N3OS3/c1-10-15(24-17(20-10)13-3-2-6-22-13)8-18-16(21)11-4-5-12-14(7-11)23-9-19-12/h2-7,9H,8H2,1H3,(H,18,21)
InChIKeyIQQUNRYSRGMBQI-UHFFFAOYSA-N
MW371.51 g/mol
LogP4.72
Rot. Bonds4

About N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-1,3-benzothiazole-6-carboxamide

N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-1,3-benzothiazole-6-carboxamide (PubChem CID 71795404) has the molecular formula C17H13N3OS3 and a molecular weight of 371.51 g/mol. Its IUPAC name is N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-1,3-benzothiazole-6-carboxamide
PubChem CID71795404
Molecular FormulaC17H13N3OS3
Molecular Weight371.51 g/mol
Exact Mass371.02
IUPAC NameN-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-1,3-benzothiazole-6-carboxamide
SMILESCc1nc(-c2cccs2)sc1CNC(=O)c1ccc2ncsc2c1
InChIInChI=1S/C17H13N3OS3/c1-10-15(24-17(20-10)13-3-2-6-22-13)8-18-16(21)11-4-5-12-14(7-11)23-9-19-12/h2-7,9H,8H2,1H3,(H,18,21)
InChIKeyIQQUNRYSRGMBQI-UHFFFAOYSA-N
XLogP4.72
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dichloro-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzamide
CID 90546721
N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-4-nitrobenzamide
CID 90546827
2-methyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]propanamide
CID 90546705
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 121122679
N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-4-oxo-4-phenylbutanamide
CID 90546787
N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-2-phenoxyacetamide
CID 90546642
4-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 90546415
N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-2-naphthalen-1-ylacetamide
CID 90546719
2-methoxy-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzamide
CID 90546701
2-acetamido-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]acetamide
CID 90546880
N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]cyclopropanecarboxamide
CID 90546633
N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]quinoxaline-6-carboxamide
CID 90546538

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-1,3-benzothiazole-6-carboxamide (CID 71795404) is N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-1,3-benzothiazole-6-carboxamide is Cc1nc(-c2cccs2)sc1CNC(=O)c1ccc2ncsc2c1.
What is the InChIKey of N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-1,3-benzothiazole-6-carboxamide?
The InChIKey is IQQUNRYSRGMBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3OS3/c1-10-15(24-17(20-10)13-3-2-6-22-13)8-18-16(21)11-4-5-12-14(7-11)23-9-19-12/h2-7,9H,8H2,1H3,(H,18,21).
What are the key properties of N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-1,3-benzothiazole-6-carboxamide?
N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-1,3-benzothiazole-6-carboxamide has a molecular weight of 371.51 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 71795404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).