2-benzamido-N-(2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide

C19H17N3O2S — CID 16914979

IUPAC2-benzamido-N-(2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1csc(NC(=O)c2ccccc2)n1
InChIInChI=1S/C19H17N3O2S/c1-12-7-6-8-13(2)16(12)21-18(24)15-11-25-19(20-15)22-17(23)14-9-4-3-5-10-14/h3-11H,1-2H3,(H,21,24)(H,20,22,23)
InChIKeyLGWCMAIQNGVHDY-UHFFFAOYSA-N
MW351.43 g/mol
LogP4.26
Rot. Bonds4

About 2-benzamido-N-(2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide

2-benzamido-N-(2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 16914979) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is 2-benzamido-N-(2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-benzamido-N-(2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID16914979
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC Name2-benzamido-N-(2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1csc(NC(=O)c2ccccc2)n1
InChIInChI=1S/C19H17N3O2S/c1-12-7-6-8-13(2)16(12)21-18(24)15-11-25-19(20-15)22-17(23)14-9-4-3-5-10-14/h3-11H,1-2H3,(H,21,24)(H,20,22,23)
InChIKeyLGWCMAIQNGVHDY-UHFFFAOYSA-N
XLogP4.26
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzamido-N-(4-methyl-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 16914998
2-benzamido-N-ethyl-1,3-thiazole-4-carboxamide
CID 16914905
2-benzamido-N-(4-bromo-3-methylphenyl)-1,3-thiazole-4-carboxamide
CID 16914994
N-(2,6-dimethylphenyl)-2-[(6-ethyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide
CID 54273764
2-(phenylcarbamoylamino)-N-(2,4,6-trimethylphenyl)-1,3-thiazole-4-carboxamide
CID 16948235
2-benzamido-N-benzyl-1,3-thiazole-4-carboxamide
CID 16914921
2-[(4-chlorobenzoyl)amino]-N-phenyl-1,3-thiazole-4-carboxamide
CID 16915094
2-benzamido-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide
CID 16914969
N-[4-(2-benzamido-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]benzamide
CID 4294892
4-[(2-benzamido-1,3-thiazole-4-carbonyl)amino]butanoic acid
CID 39182218
N-(4-methyl-1,3-thiazol-2-yl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84560120
N-[4-(3-phenylprop-2-enoyl)-1,3-thiazol-2-yl]benzamide
CID 174923780

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-N-(2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-benzamido-N-(2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide (CID 16914979) is 2-benzamido-N-(2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-benzamido-N-(2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-benzamido-N-(2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide is Cc1cccc(C)c1NC(=O)c1csc(NC(=O)c2ccccc2)n1.
What is the InChIKey of 2-benzamido-N-(2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is LGWCMAIQNGVHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S/c1-12-7-6-8-13(2)16(12)21-18(24)15-11-25-19(20-15)22-17(23)14-9-4-3-5-10-14/h3-11H,1-2H3,(H,21,24)(H,20,22,23).
What are the key properties of 2-benzamido-N-(2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide?
2-benzamido-N-(2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 351.43 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-N-(2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 16914979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).