N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide

C15H18N6O2S — CID 117085100

IUPACN-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1csc(Nc2ccncn2)n1
InChIInChI=1S/C15H18N6O2S/c22-13-3-1-7-21(13)8-2-5-17-14(23)11-9-24-15(19-11)20-12-4-6-16-10-18-12/h4,6,9-10H,1-3,5,7-8H2,(H,17,23)(H,16,18,19,20)
InChIKeyQZAQBGXRWBPKOH-UHFFFAOYSA-N
MW346.42 g/mol
LogP1.42
Rot. Bonds7

About N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide

N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide (PubChem CID 117085100) has the molecular formula C15H18N6O2S and a molecular weight of 346.42 g/mol. Its IUPAC name is N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide
PubChem CID117085100
Molecular FormulaC15H18N6O2S
Molecular Weight346.42 g/mol
Exact Mass346.12
IUPAC NameN-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1csc(Nc2ccncn2)n1
InChIInChI=1S/C15H18N6O2S/c22-13-3-1-7-21(13)8-2-5-17-14(23)11-9-24-15(19-11)20-12-4-6-16-10-18-12/h4,6,9-10H,1-3,5,7-8H2,(H,17,23)(H,16,18,19,20)
InChIKeyQZAQBGXRWBPKOH-UHFFFAOYSA-N
XLogP1.42
TPSA100.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(4-morpholin-4-ylanilino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 117080609
2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 72894736
2-[(2-fluorobenzoyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 46114255
N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 63048000
2-[(4-chlorophenoxy)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 30892188
1-[3-[[2-amino-6-(pyrimidin-4-ylamino)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 117081350
2-[3-(2-oxoazepan-1-yl)propylcarbamoyl]pyridine-4-carboxylic acid
CID 122055052
N-[3-(2-oxoazepan-1-yl)propyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 46537541
6-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-2-carboxamide
CID 62233313
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyridine-4-carboxamide
CID 117094373
N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 176776996
N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
CID 117080691

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide (CID 117085100) is N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide is O=C(NCCCN1CCCC1=O)c1csc(Nc2ccncn2)n1.
What is the InChIKey of N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is QZAQBGXRWBPKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O2S/c22-13-3-1-7-21(13)8-2-5-17-14(23)11-9-24-15(19-11)20-12-4-6-16-10-18-12/h4,6,9-10H,1-3,5,7-8H2,(H,17,23)(H,16,18,19,20).
What are the key properties of N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide?
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 346.42 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 117085100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).