2-pyrimidin-2-yl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide

C12H13N5OS — CID 119449848

IUPAC2-pyrimidin-2-yl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide
SMILESO=C(NC1CCNC1)c1cnc(-c2ncccn2)s1
InChIInChI=1S/C12H13N5OS/c18-11(17-8-2-5-13-6-8)9-7-16-12(19-9)10-14-3-1-4-15-10/h1,3-4,7-8,13H,2,5-6H2,(H,17,18)
InChIKeyUYRJEBMHPWQKIU-UHFFFAOYSA-N
MW275.34 g/mol
LogP0.69
Rot. Bonds3

About 2-pyrimidin-2-yl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide

2-pyrimidin-2-yl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 119449848) has the molecular formula C12H13N5OS and a molecular weight of 275.34 g/mol. Its IUPAC name is 2-pyrimidin-2-yl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-pyrimidin-2-yl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide
PubChem CID119449848
Molecular FormulaC12H13N5OS
Molecular Weight275.34 g/mol
Exact Mass275.08
IUPAC Name2-pyrimidin-2-yl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide
SMILESO=C(NC1CCNC1)c1cnc(-c2ncccn2)s1
InChIInChI=1S/C12H13N5OS/c18-11(17-8-2-5-13-6-8)9-7-16-12(19-9)10-14-3-1-4-15-10/h1,3-4,7-8,13H,2,5-6H2,(H,17,18)
InChIKeyUYRJEBMHPWQKIU-UHFFFAOYSA-N
XLogP0.69
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-piperidin-3-yl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119427844
N-piperidin-3-yl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119424673
N-piperidin-3-yl-2-propyl-1,3-thiazole-5-carboxamide
CID 119429304
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 119458360
3-cyclopropyl-3-[(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 71915559
N-(4-aminocyclohexyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 119477790
N-[(3S)-pyrrolidin-3-yl]quinoline-6-carboxamide
CID 79688925
N,N-di(cyclobutyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 128533423
N-pyrrolidin-3-ylisoquinoline-7-carboxamide
CID 18337236
5-(cyclobutylcarbamoyl)-1,3-thiazole-2-carboxylic acid
CID 130505258
N-(2-piperidin-3-ylethyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119558250
N-[(3R)-pyrrolidin-3-yl]-1,2,5-thiadiazole-3-carboxamide
CID 79685297

Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-2-yl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-pyrimidin-2-yl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide (CID 119449848) is 2-pyrimidin-2-yl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-pyrimidin-2-yl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-pyrimidin-2-yl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide is O=C(NC1CCNC1)c1cnc(-c2ncccn2)s1.
What is the InChIKey of 2-pyrimidin-2-yl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is UYRJEBMHPWQKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5OS/c18-11(17-8-2-5-13-6-8)9-7-16-12(19-9)10-14-3-1-4-15-10/h1,3-4,7-8,13H,2,5-6H2,(H,17,18).
What are the key properties of 2-pyrimidin-2-yl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide?
2-pyrimidin-2-yl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 275.34 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-2-yl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 119449848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).