5-benzamido-N,2-dimethyl-1,3-thiazole-4-carboxamide

C13H13N3O2S — CID 174246138

IUPAC5-benzamido-N,2-dimethyl-1,3-thiazole-4-carboxamide
SMILESCNC(=O)c1nc(C)sc1NC(=O)c1ccccc1
InChIInChI=1S/C13H13N3O2S/c1-8-15-10(12(18)14-2)13(19-8)16-11(17)9-6-4-3-5-7-9/h3-7H,1-2H3,(H,14,18)(H,16,17)
InChIKeyKSYLQKHQWDXVDV-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.06
Rot. Bonds3

About 5-benzamido-N,2-dimethyl-1,3-thiazole-4-carboxamide

5-benzamido-N,2-dimethyl-1,3-thiazole-4-carboxamide (PubChem CID 174246138) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is 5-benzamido-N,2-dimethyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-benzamido-N,2-dimethyl-1,3-thiazole-4-carboxamide
PubChem CID174246138
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC Name5-benzamido-N,2-dimethyl-1,3-thiazole-4-carboxamide
SMILESCNC(=O)c1nc(C)sc1NC(=O)c1ccccc1
InChIInChI=1S/C13H13N3O2S/c1-8-15-10(12(18)14-2)13(19-8)16-11(17)9-6-4-3-5-7-9/h3-7H,1-2H3,(H,14,18)(H,16,17)
InChIKeyKSYLQKHQWDXVDV-UHFFFAOYSA-N
XLogP2.06
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methylbenzamide
CID 11954
5-[(3-chloro-4-hydroxybenzoyl)amino]-2-methyl-1,3-thiazole-4-carboxylic acid
CID 165403811
ethane;N-methylbenzamide;2-methylpropane
CID 161462553
lithium;hydride;N-methylbenzamide
CID 173287348
N-methylbenzamide;molecular hydrogen
CID 142972595
N-methylbenzamide;sulfuryl dichloride
CID 158851255
CID 66812751
CID 66812751
5-benzamido-1,3-thiazole-4-carboxylic acid
CID 69246207
N-(2-benzamido-4-phenyl-1,3-thiazol-5-yl)benzamide
CID 46300054
4-methyl-N-[2-[[5-[(4-methylbenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]methyl]-4-phenyl-1,3-thiazol-5-yl]benzamide
CID 45155798
4-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)-N-methylbenzamide
CID 134953915
N-(5-benzoyl-4-methyl-1,3-thiazol-2-yl)benzamide
CID 7315330

Frequently Asked Questions

What is the IUPAC name of 5-benzamido-N,2-dimethyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-benzamido-N,2-dimethyl-1,3-thiazole-4-carboxamide (CID 174246138) is 5-benzamido-N,2-dimethyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-benzamido-N,2-dimethyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-benzamido-N,2-dimethyl-1,3-thiazole-4-carboxamide is CNC(=O)c1nc(C)sc1NC(=O)c1ccccc1.
What is the InChIKey of 5-benzamido-N,2-dimethyl-1,3-thiazole-4-carboxamide?
The InChIKey is KSYLQKHQWDXVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c1-8-15-10(12(18)14-2)13(19-8)16-11(17)9-6-4-3-5-7-9/h3-7H,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 5-benzamido-N,2-dimethyl-1,3-thiazole-4-carboxamide?
5-benzamido-N,2-dimethyl-1,3-thiazole-4-carboxamide has a molecular weight of 275.33 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzamido-N,2-dimethyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 174246138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).