3-(propanoylamino)-N-(1,3-thiazol-2-yl)benzamide

C13H13N3O2S — CID 880149

IUPAC3-(propanoylamino)-N-(1,3-thiazol-2-yl)benzamide
SMILESCCC(=O)Nc1cccc(C(=O)Nc2nccs2)c1
InChIInChI=1S/C13H13N3O2S/c1-2-11(17)15-10-5-3-4-9(8-10)12(18)16-13-14-6-7-19-13/h3-8H,2H2,1H3,(H,15,17)(H,14,16,18)
InChIKeyPTXXTCBYBVMQDE-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.74
Rot. Bonds4

About 3-(propanoylamino)-N-(1,3-thiazol-2-yl)benzamide

3-(propanoylamino)-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 880149) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is 3-(propanoylamino)-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-(propanoylamino)-N-(1,3-thiazol-2-yl)benzamide
PubChem CID880149
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC Name3-(propanoylamino)-N-(1,3-thiazol-2-yl)benzamide
SMILESCCC(=O)Nc1cccc(C(=O)Nc2nccs2)c1
InChIInChI=1S/C13H13N3O2S/c1-2-11(17)15-10-5-3-4-9(8-10)12(18)16-13-14-6-7-19-13/h3-8H,2H2,1H3,(H,15,17)(H,14,16,18)
InChIKeyPTXXTCBYBVMQDE-UHFFFAOYSA-N
XLogP2.74
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(propanoylamino)-N-(1,3-thiazol-2-yl)benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(propanoylamino)-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-(propanoylamino)-N-(1,3-thiazol-2-yl)benzamide (CID 880149) is 3-(propanoylamino)-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-(propanoylamino)-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-(propanoylamino)-N-(1,3-thiazol-2-yl)benzamide is CCC(=O)Nc1cccc(C(=O)Nc2nccs2)c1.
What is the InChIKey of 3-(propanoylamino)-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is PTXXTCBYBVMQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c1-2-11(17)15-10-5-3-4-9(8-10)12(18)16-13-14-6-7-19-13/h3-8H,2H2,1H3,(H,15,17)(H,14,16,18).
What are the key properties of 3-(propanoylamino)-N-(1,3-thiazol-2-yl)benzamide?
3-(propanoylamino)-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 275.33 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propanoylamino)-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 880149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).