N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide

C15H11ClN2OS2 — CID 1113641

IUPACN-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESO=C(Nc1ncc(Cc2cccc(Cl)c2)s1)c1cccs1
InChIInChI=1S/C15H11ClN2OS2/c16-11-4-1-3-10(7-11)8-12-9-17-15(21-12)18-14(19)13-5-2-6-20-13/h1-7,9H,8H2,(H,17,18,19)
InChIKeyQBTVHTFUCQFARG-UHFFFAOYSA-N
MW334.85 g/mol
LogP4.70
Rot. Bonds4

About N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide

N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (PubChem CID 1113641) has the molecular formula C15H11ClN2OS2 and a molecular weight of 334.85 g/mol. Its IUPAC name is N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
PubChem CID1113641
Molecular FormulaC15H11ClN2OS2
Molecular Weight334.85 g/mol
Exact Mass334.00
IUPAC NameN-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESO=C(Nc1ncc(Cc2cccc(Cl)c2)s1)c1cccs1
InChIInChI=1S/C15H11ClN2OS2/c16-11-4-1-3-10(7-11)8-12-9-17-15(21-12)18-14(19)13-5-2-6-20-13/h1-7,9H,8H2,(H,17,18,19)
InChIKeyQBTVHTFUCQFARG-UHFFFAOYSA-N
XLogP4.70
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-N-(4-(pyridin-2-yl)thiazol-2-yl)thiophene-2-carboxamide
CID 3561768
N-(5-phenyl-1,3-thiazol-2-yl)benzamide
CID 5329385
N-(2-chloro-6-methylphenyl)-2-[(3-thienylcarbonyl)amino]-1,3-thiazole-5-carboxamide
CID 21911536
3-Chloro-N-(1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide
CID 606795
N-(2-chloro-6-methylphenyl)-2-[(2-thienylcarbonyl)amino]-1,3-thiazole-5-carboxamide
CID 21911573
N-(5-(4-fluorobenzyl)thiazol-2-yl)thiophene-2-carboxamide
CID 2180013
3-(5-(3-Chlorobenzyl)thiazol-2-yl)-2-iminothiazolidin-4-one
CID 3157015
3-chloro-N-(5-methyl-1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide
CID 2523343
3-Chloro-N-(4-pyridin-2-yl-thiazol-2-yl)-benzamide
CID 3534313
3-chloro-N-(1,3-thiazol-2-yl)benzamide
CID 738526
N-(5-benzyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 644846
N-(5-(4-chlorobenzyl)thiazol-2-yl)thiophene-2-carboxamide
CID 726259

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (CID 1113641) is N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide is O=C(Nc1ncc(Cc2cccc(Cl)c2)s1)c1cccs1.
What is the InChIKey of N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The InChIKey is QBTVHTFUCQFARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2OS2/c16-11-4-1-3-10(7-11)8-12-9-17-15(21-12)18-14(19)13-5-2-6-20-13/h1-7,9H,8H2,(H,17,18,19).
What are the key properties of N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 334.85 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 1113641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).