2-(1-benzothiophen-3-yl)-N-benzyl-1,3-thiazole-4-carboxamide

C19H14N2OS2 — CID 117084082

IUPAC2-(1-benzothiophen-3-yl)-N-benzyl-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccccc1)c1csc(-c2csc3ccccc23)n1
InChIInChI=1S/C19H14N2OS2/c22-18(20-10-13-6-2-1-3-7-13)16-12-24-19(21-16)15-11-23-17-9-5-4-8-14(15)17/h1-9,11-12H,10H2,(H,20,22)
InChIKeyHTYIKANDIZCRFV-UHFFFAOYSA-N
MW350.47 g/mol
LogP4.95
Rot. Bonds4

About 2-(1-benzothiophen-3-yl)-N-benzyl-1,3-thiazole-4-carboxamide

2-(1-benzothiophen-3-yl)-N-benzyl-1,3-thiazole-4-carboxamide (PubChem CID 117084082) has the molecular formula C19H14N2OS2 and a molecular weight of 350.47 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-N-benzyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-N-benzyl-1,3-thiazole-4-carboxamide
PubChem CID117084082
Molecular FormulaC19H14N2OS2
Molecular Weight350.47 g/mol
Exact Mass350.05
IUPAC Name2-(1-benzothiophen-3-yl)-N-benzyl-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccccc1)c1csc(-c2csc3ccccc23)n1
InChIInChI=1S/C19H14N2OS2/c22-18(20-10-13-6-2-1-3-7-13)16-12-24-19(21-16)15-11-23-17-9-5-4-8-14(15)17/h1-9,11-12H,10H2,(H,20,22)
InChIKeyHTYIKANDIZCRFV-UHFFFAOYSA-N
XLogP4.95
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 9191739
N-benzyl-2-(5-methylthiophen-2-yl)-1,3-thiazole-4-carboxamide
CID 53037018
N-[[2-(hydroxymethyl)phenyl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 110902537
methyl 4-[[(2-phenyl-1,3-thiazole-4-carbonyl)amino]methyl]benzoate
CID 55386593
2-benzamido-N-benzyl-1,3-thiazole-4-carboxamide
CID 16914921
N-[[4-(ethoxymethyl)phenyl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 46598097
N-[[4-(aminomethyl)phenyl]methyl]-2-(1-benzothiophen-3-yl)quinoline-4-carboxamide
CID 18729967
N-ethyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 17398194
N-[(2-methylphenyl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 9488971
N-benzyl-2-[4-[(2,6-difluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 46065802
N-benzyl-2-[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 46066956
2-(4-methylphenyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
CID 17401006

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-N-benzyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-benzothiophen-3-yl)-N-benzyl-1,3-thiazole-4-carboxamide (CID 117084082) is 2-(1-benzothiophen-3-yl)-N-benzyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-N-benzyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-N-benzyl-1,3-thiazole-4-carboxamide is O=C(NCc1ccccc1)c1csc(-c2csc3ccccc23)n1.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-N-benzyl-1,3-thiazole-4-carboxamide?
The InChIKey is HTYIKANDIZCRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2OS2/c22-18(20-10-13-6-2-1-3-7-13)16-12-24-19(21-16)15-11-23-17-9-5-4-8-14(15)17/h1-9,11-12H,10H2,(H,20,22).
What are the key properties of 2-(1-benzothiophen-3-yl)-N-benzyl-1,3-thiazole-4-carboxamide?
2-(1-benzothiophen-3-yl)-N-benzyl-1,3-thiazole-4-carboxamide has a molecular weight of 350.47 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-N-benzyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 117084082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).