N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide

C15H18N6O2S — CID 117080839

IUPACN-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1cnc(Nc2ccncn2)s1
InChIInChI=1S/C15H18N6O2S/c22-13-3-1-7-21(13)8-2-5-17-14(23)11-9-18-15(24-11)20-12-4-6-16-10-19-12/h4,6,9-10H,1-3,5,7-8H2,(H,17,23)(H,16,18,19,20)
InChIKeyCDKMPCPDTMZCPH-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-5-carboxamide

N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide (PubChem CID 117080839) 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-5-carboxamide.

Molecular Properties

Compound NameN-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide
PubChem CID117080839
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-5-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1cnc(Nc2ccncn2)s1
InChIInChI=1S/C15H18N6O2S/c22-13-3-1-7-21(13)8-2-5-17-14(23)11-9-18-15(24-11)20-12-4-6-16-10-19-12/h4,6,9-10H,1-3,5,7-8H2,(H,17,23)(H,16,18,19,20)
InChIKeyCDKMPCPDTMZCPH-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-5-carboxamide 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 N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide (CID 117080839) is N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide is O=C(NCCCN1CCCC1=O)c1cnc(Nc2ccncn2)s1.
What is the InChIKey of N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is CDKMPCPDTMZCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O2S/c22-13-3-1-7-21(13)8-2-5-17-14(23)11-9-18-15(24-11)20-12-4-6-16-10-19-12/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-5-carboxamide?
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-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-5-carboxamide is sourced from PubChem (CID 117080839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).