2-[(2S)-1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-1,3-thiazole-5-carboxamide

C13H15N5OS — CID 124940784

IUPAC2-[(2S)-1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-1,3-thiazole-5-carboxamide
SMILESCc1nccc(N2CCC[C@H]2c2ncc(C(N)=O)s2)n1
InChIInChI=1S/C13H15N5OS/c1-8-15-5-4-11(17-8)18-6-2-3-9(18)13-16-7-10(20-13)12(14)19/h4-5,7,9H,2-3,6H2,1H3,(H2,14,19)/t9-/m0/s1
InChIKeyAINGCOMIQMBISY-VIFPVBQESA-N
MW289.36 g/mol
LogP1.68
Rot. Bonds3

About 2-[(2S)-1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-1,3-thiazole-5-carboxamide

2-[(2S)-1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-1,3-thiazole-5-carboxamide (PubChem CID 124940784) has the molecular formula C13H15N5OS and a molecular weight of 289.36 g/mol. Its IUPAC name is 2-[(2S)-1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(2S)-1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-1,3-thiazole-5-carboxamide
PubChem CID124940784
Molecular FormulaC13H15N5OS
Molecular Weight289.36 g/mol
Exact Mass289.10
IUPAC Name2-[(2S)-1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-1,3-thiazole-5-carboxamide
SMILESCc1nccc(N2CCC[C@H]2c2ncc(C(N)=O)s2)n1
InChIInChI=1S/C13H15N5OS/c1-8-15-5-4-11(17-8)18-6-2-3-9(18)13-16-7-10(20-13)12(14)19/h4-5,7,9H,2-3,6H2,1H3,(H2,14,19)/t9-/m0/s1
InChIKeyAINGCOMIQMBISY-VIFPVBQESA-N
XLogP1.68
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(2S)-1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-1,3-thiazole-5-carboxamide (CID 124940784) is 2-[(2S)-1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(2S)-1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(2S)-1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-1,3-thiazole-5-carboxamide is Cc1nccc(N2CCC[C@H]2c2ncc(C(N)=O)s2)n1.
What is the InChIKey of 2-[(2S)-1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is AINGCOMIQMBISY-VIFPVBQESA-N. The full InChI is InChI=1S/C13H15N5OS/c1-8-15-5-4-11(17-8)18-6-2-3-9(18)13-16-7-10(20-13)12(14)19/h4-5,7,9H,2-3,6H2,1H3,(H2,14,19)/t9-/m0/s1.
What are the key properties of 2-[(2S)-1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-1,3-thiazole-5-carboxamide?
2-[(2S)-1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 289.36 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 124940784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).