(3S)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-pyrimidin-2-ylpyrrolidine-3-carboxamide

C15H19N5OS — CID 95813113

IUPAC(3S)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
SMILESCc1cnc(CCNC(=O)[C@H]2CCN(c3ncccn3)C2)s1
InChIInChI=1S/C15H19N5OS/c1-11-9-19-13(22-11)3-7-16-14(21)12-4-8-20(10-12)15-17-5-2-6-18-15/h2,5-6,9,12H,3-4,7-8,10H2,1H3,(H,16,21)/t12-/m0/s1
InChIKeyYFFOYEFIIRMPEA-LBPRGKRZSA-N
MW317.42 g/mol
LogP1.43
Rot. Bonds5

About (3S)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-pyrimidin-2-ylpyrrolidine-3-carboxamide

(3S)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-pyrimidin-2-ylpyrrolidine-3-carboxamide (PubChem CID 95813113) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is (3S)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-pyrimidin-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
PubChem CID95813113
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC Name(3S)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
SMILESCc1cnc(CCNC(=O)[C@H]2CCN(c3ncccn3)C2)s1
InChIInChI=1S/C15H19N5OS/c1-11-9-19-13(22-11)3-7-16-14(21)12-4-8-20(10-12)15-17-5-2-6-18-15/h2,5-6,9,12H,3-4,7-8,10H2,1H3,(H,16,21)/t12-/m0/s1
InChIKeyYFFOYEFIIRMPEA-LBPRGKRZSA-N
XLogP1.43
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-pyrimidin-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-pyrimidin-2-ylpyrrolidine-3-carboxamide (CID 95813113) is (3S)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-pyrimidin-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-pyrimidin-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-pyrimidin-2-ylpyrrolidine-3-carboxamide is Cc1cnc(CCNC(=O)[C@H]2CCN(c3ncccn3)C2)s1.
What is the InChIKey of (3S)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-pyrimidin-2-ylpyrrolidine-3-carboxamide?
The InChIKey is YFFOYEFIIRMPEA-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19N5OS/c1-11-9-19-13(22-11)3-7-16-14(21)12-4-8-20(10-12)15-17-5-2-6-18-15/h2,5-6,9,12H,3-4,7-8,10H2,1H3,(H,16,21)/t12-/m0/s1.
What are the key properties of (3S)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-pyrimidin-2-ylpyrrolidine-3-carboxamide?
(3S)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-pyrimidin-2-ylpyrrolidine-3-carboxamide has a molecular weight of 317.42 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-pyrimidin-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 95813113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).