N-[(3-carbamoylphenyl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

C16H13N3O2S2 — CID 32637038

IUPACN-[(3-carbamoylphenyl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1cccc(CNC(=O)c2csc(-c3cccs3)n2)c1
InChIInChI=1S/C16H13N3O2S2/c17-14(20)11-4-1-3-10(7-11)8-18-15(21)12-9-23-16(19-12)13-5-2-6-22-13/h1-7,9H,8H2,(H2,17,20)(H,18,21)
InChIKeyVKMVDGDUOMOZJD-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.90
Rot. Bonds5

About N-[(3-carbamoylphenyl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

N-[(3-carbamoylphenyl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 32637038) has the molecular formula C16H13N3O2S2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[(3-carbamoylphenyl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-carbamoylphenyl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
PubChem CID32637038
Molecular FormulaC16H13N3O2S2
Molecular Weight343.43 g/mol
Exact Mass343.04
IUPAC NameN-[(3-carbamoylphenyl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1cccc(CNC(=O)c2csc(-c3cccs3)n2)c1
InChIInChI=1S/C16H13N3O2S2/c17-14(20)11-4-1-3-10(7-11)8-18-15(21)12-9-23-16(19-12)13-5-2-6-22-13/h1-7,9H,8H2,(H2,17,20)(H,18,21)
InChIKeyVKMVDGDUOMOZJD-UHFFFAOYSA-N
XLogP2.90
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 9403922
N-(2-benzamidoethyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 55536744
N-(2-amino-2-methylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119630453
N-(3-amino-2-hydroxy-3-oxopropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 107260979
N-[(3-carbamoylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 63049431
N-[(3-carbamothioylphenyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 65198716
2-thiophen-2-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 78813569
2-(2-aminoethyl)-N-[[3-(methylcarbamoyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 120621953
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 70753289
N-[(3-carbamoylphenyl)methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 33097528
N-[(3-carbamoylphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 123882296
2-(aminomethyl)-N-[[3-(ethylcarbamoyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119734832

Frequently Asked Questions

What is the IUPAC name of N-[(3-carbamoylphenyl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(3-carbamoylphenyl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (CID 32637038) is N-[(3-carbamoylphenyl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(3-carbamoylphenyl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(3-carbamoylphenyl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is NC(=O)c1cccc(CNC(=O)c2csc(-c3cccs3)n2)c1.
What is the InChIKey of N-[(3-carbamoylphenyl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is VKMVDGDUOMOZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2S2/c17-14(20)11-4-1-3-10(7-11)8-18-15(21)12-9-23-16(19-12)13-5-2-6-22-13/h1-7,9H,8H2,(H2,17,20)(H,18,21).
What are the key properties of N-[(3-carbamoylphenyl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
N-[(3-carbamoylphenyl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-carbamoylphenyl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 32637038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).