2-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]-1,3-thiazole-5-carboxamide

C12H13N5OS — CID 125009220

IUPAC2-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc([C@H]2CCCN2c2ncccn2)s1
InChIInChI=1S/C12H13N5OS/c13-10(18)9-7-16-11(19-9)8-3-1-6-17(8)12-14-4-2-5-15-12/h2,4-5,7-8H,1,3,6H2,(H2,13,18)/t8-/m1/s1
InChIKeyVATRFUGHJZYUSB-MRVPVSSYSA-N
MW275.34 g/mol
LogP1.37
Rot. Bonds3

About 2-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]-1,3-thiazole-5-carboxamide

2-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]-1,3-thiazole-5-carboxamide (PubChem CID 125009220) has the molecular formula C12H13N5OS and a molecular weight of 275.34 g/mol. Its IUPAC name is 2-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]-1,3-thiazole-5-carboxamide
PubChem CID125009220
Molecular FormulaC12H13N5OS
Molecular Weight275.34 g/mol
Exact Mass275.08
IUPAC Name2-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc([C@H]2CCCN2c2ncccn2)s1
InChIInChI=1S/C12H13N5OS/c13-10(18)9-7-16-11(19-9)8-3-1-6-17(8)12-14-4-2-5-15-12/h2,4-5,7-8H,1,3,6H2,(H2,13,18)/t8-/m1/s1
InChIKeyVATRFUGHJZYUSB-MRVPVSSYSA-N
XLogP1.37
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-2-(1-pyrimidin-2-ylpiperidin-2-yl)-1,3-thiazole-5-carboxamide
CID 110095106
2-[(2S)-1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-1,3-thiazole-5-carboxamide
CID 124940784
2-[(2R)-1-(2-methylpropyl)piperidin-2-yl]-1,3-thiazole-5-carboxamide
CID 125024082
2-[(2R)-1-(2-pyridin-3-ylacetyl)pyrrolidin-2-yl]-1,3-thiazole-5-carboxamide
CID 125024121
N-methyl-2-(1-pyridin-2-ylpiperidin-2-yl)-1,3-thiazole-5-carboxamide
CID 110095103
2-[1-[(2-fluorophenyl)methyl]piperidin-2-yl]-1,3-thiazole-5-carboxamide
CID 110109904
2-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-2-yl]-1,3-thiazole-5-carboxamide
CID 125019699
4-[4-(1-pyrimidin-2-ylpyrrolidin-2-yl)pyrimidin-2-yl]benzamide
CID 110268253
2-[(2S)-1-[2-(1H-indol-3-yl)acetyl]piperidin-2-yl]-1,3-thiazole-5-carboxamide
CID 124946578
2-(2-pyrazin-2-ylpyrrolidin-1-yl)pyrimidine
CID 110269330
(4-hydroxy-4-methylpiperidin-1-yl)-(1-pyrimidin-2-ylpyrrolidin-2-yl)methanone
CID 80702244
N,N-dimethyl-2-[(2R)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-5-carboxamide
CID 124952535

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]-1,3-thiazole-5-carboxamide (CID 125009220) is 2-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]-1,3-thiazole-5-carboxamide is NC(=O)c1cnc([C@H]2CCCN2c2ncccn2)s1.
What is the InChIKey of 2-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is VATRFUGHJZYUSB-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H13N5OS/c13-10(18)9-7-16-11(19-9)8-3-1-6-17(8)12-14-4-2-5-15-12/h2,4-5,7-8H,1,3,6H2,(H2,13,18)/t8-/m1/s1.
What are the key properties of 2-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]-1,3-thiazole-5-carboxamide?
2-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 275.34 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 125009220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).