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

C15H18N6O2S — CID 117080545

IUPACN-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1cnc(Nc2ncccn2)s1
InChIInChI=1S/C15H18N6O2S/c22-12-4-1-8-21(12)9-3-7-16-13(23)11-10-19-15(24-11)20-14-17-5-2-6-18-14/h2,5-6,10H,1,3-4,7-9H2,(H,16,23)(H,17,18,19,20)
InChIKeyCVZAKMWLAFNFJT-UHFFFAOYSA-N
MW346.42 g/mol
LogP1.42
Rot. Bonds7

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

N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxamide (PubChem CID 117080545) 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-2-ylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxamide
PubChem CID117080545
Molecular FormulaC15H18N6O2S
Molecular Weight346.42 g/mol
Exact Mass346.12
IUPAC NameN-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1cnc(Nc2ncccn2)s1
InChIInChI=1S/C15H18N6O2S/c22-12-4-1-8-21(12)9-3-7-16-13(23)11-10-19-15(24-11)20-14-17-5-2-6-18-14/h2,5-6,10H,1,3-4,7-9H2,(H,16,23)(H,17,18,19,20)
InChIKeyCVZAKMWLAFNFJT-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'}

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Related Compounds

3-(Pyrimidin-2-ylamino)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
CID 45822006
2-tert-butyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 47886341
3-(Pyrimidin-2-ylamino)-1-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propan-1-one
CID 48504780
2-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 53547436
2-ethyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 47427175
(3S)-N-ethyl-1-(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)pyrrolidine-3-sulfonamide
CID 164629802
4-methyl-N-[[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]methyl]-1,3-thiazole-5-carboxamide
CID 164633040
N-cyclopropyl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxamide
CID 117084678
2-(Pyrimidin-2-ylamino)-1,3-thiazole-4-carbaldehyde
CID 139136806
N-(3-amino-2,2-difluoropropyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 120411135
N-(3-amino-2,2-difluoropropyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 120411136
2-pyrimidin-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide
CID 120812261

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxamide (CID 117080545) is N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxamide is O=C(NCCCN1CCCC1=O)c1cnc(Nc2ncccn2)s1.
What is the InChIKey of N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is CVZAKMWLAFNFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O2S/c22-12-4-1-8-21(12)9-3-7-16-13(23)11-10-19-15(24-11)20-14-17-5-2-6-18-14/h2,5-6,10H,1,3-4,7-9H2,(H,16,23)(H,17,18,19,20).
What are the key properties of N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxamide?
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(pyrimidin-2-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-2-ylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 117080545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).