4-[(2-pyrrolidin-2-ylacetyl)amino]-N-(1,3-thiazol-2-yl)benzamide

C16H18N4O2S — CID 118728364

IUPAC4-[(2-pyrrolidin-2-ylacetyl)amino]-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(CC1CCCN1)Nc1ccc(C(=O)Nc2nccs2)cc1
InChIInChI=1S/C16H18N4O2S/c21-14(10-13-2-1-7-17-13)19-12-5-3-11(4-6-12)15(22)20-16-18-8-9-23-16/h3-6,8-9,13,17H,1-2,7,10H2,(H,19,21)(H,18,20,22)
InChIKeyCPCOVXCUVCIEEO-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.48
Rot. Bonds5

About 4-[(2-pyrrolidin-2-ylacetyl)amino]-N-(1,3-thiazol-2-yl)benzamide

4-[(2-pyrrolidin-2-ylacetyl)amino]-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 118728364) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is 4-[(2-pyrrolidin-2-ylacetyl)amino]-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[(2-pyrrolidin-2-ylacetyl)amino]-N-(1,3-thiazol-2-yl)benzamide
PubChem CID118728364
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name4-[(2-pyrrolidin-2-ylacetyl)amino]-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(CC1CCCN1)Nc1ccc(C(=O)Nc2nccs2)cc1
InChIInChI=1S/C16H18N4O2S/c21-14(10-13-2-1-7-17-13)19-12-5-3-11(4-6-12)15(22)20-16-18-8-9-23-16/h3-6,8-9,13,17H,1-2,7,10H2,(H,19,21)(H,18,20,22)
InChIKeyCPCOVXCUVCIEEO-UHFFFAOYSA-N
XLogP2.48
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[(2-pyrrolidin-2-ylacetyl)amino]-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 4-[(2-pyrrolidin-2-ylacetyl)amino]-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-[(2-pyrrolidin-2-ylacetyl)amino]-N-(1,3-thiazol-2-yl)benzamide (CID 118728364) is 4-[(2-pyrrolidin-2-ylacetyl)amino]-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-[(2-pyrrolidin-2-ylacetyl)amino]-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-[(2-pyrrolidin-2-ylacetyl)amino]-N-(1,3-thiazol-2-yl)benzamide is O=C(CC1CCCN1)Nc1ccc(C(=O)Nc2nccs2)cc1.
What is the InChIKey of 4-[(2-pyrrolidin-2-ylacetyl)amino]-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is CPCOVXCUVCIEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c21-14(10-13-2-1-7-17-13)19-12-5-3-11(4-6-12)15(22)20-16-18-8-9-23-16/h3-6,8-9,13,17H,1-2,7,10H2,(H,19,21)(H,18,20,22).
What are the key properties of 4-[(2-pyrrolidin-2-ylacetyl)amino]-N-(1,3-thiazol-2-yl)benzamide?
4-[(2-pyrrolidin-2-ylacetyl)amino]-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 330.41 g/mol, XLogP of 2.48, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-pyrrolidin-2-ylacetyl)amino]-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 118728364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).