4-[[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzamide

C17H14N4O2S — CID 26721108

IUPAC4-[[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)Cc2csc(-c3ccccn3)n2)cc1
InChIInChI=1S/C17H14N4O2S/c18-16(23)11-4-6-12(7-5-11)20-15(22)9-13-10-24-17(21-13)14-3-1-2-8-19-14/h1-8,10H,9H2,(H2,18,23)(H,20,22)
InChIKeyLDZZOYXAOQBIQJ-UHFFFAOYSA-N
MW338.39 g/mol
LogP2.49
Rot. Bonds5

About 4-[[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzamide

4-[[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzamide (PubChem CID 26721108) has the molecular formula C17H14N4O2S and a molecular weight of 338.39 g/mol. Its IUPAC name is 4-[[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzamide
PubChem CID26721108
Molecular FormulaC17H14N4O2S
Molecular Weight338.39 g/mol
Exact Mass338.08
IUPAC Name4-[[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)Cc2csc(-c3ccccn3)n2)cc1
InChIInChI=1S/C17H14N4O2S/c18-16(23)11-4-6-12(7-5-11)20-15(22)9-13-10-24-17(21-13)14-3-1-2-8-19-14/h1-8,10H,9H2,(H2,18,23)(H,20,22)
InChIKeyLDZZOYXAOQBIQJ-UHFFFAOYSA-N
XLogP2.49
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetylphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 34829771
2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(4-pyrimidin-2-yloxyphenyl)acetamide
CID 55919837
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate
CID 30253480
N-(3-chloro-4-methylphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 30424894
N-[4-methyl-3-(trifluoromethyl)phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 16579285
N-[3-(methoxymethyl)phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 32638534
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 27667849
4-[[2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 82547522
N-propan-2-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 27648148
N-[(1-hydroxycyclohexyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 111445951
N-cyclooctyl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 17449429
N-pentan-3-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 17434682

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzamide?
The IUPAC name of 4-[[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzamide (CID 26721108) is 4-[[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzamide is NC(=O)c1ccc(NC(=O)Cc2csc(-c3ccccn3)n2)cc1.
What is the InChIKey of 4-[[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzamide?
The InChIKey is LDZZOYXAOQBIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2S/c18-16(23)11-4-6-12(7-5-11)20-15(22)9-13-10-24-17(21-13)14-3-1-2-8-19-14/h1-8,10H,9H2,(H2,18,23)(H,20,22).
What are the key properties of 4-[[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzamide?
4-[[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzamide has a molecular weight of 338.39 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzamide is sourced from PubChem (CID 26721108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).