(3S)-1-(4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbonyl)pyrrolidine-3-carboxamide

C15H16N4O2S — CID 95137194

IUPAC(3S)-1-(4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbonyl)pyrrolidine-3-carboxamide
SMILESCc1nc(-c2ccccn2)sc1C(=O)N1CC[C@H](C(N)=O)C1
InChIInChI=1S/C15H16N4O2S/c1-9-12(15(21)19-7-5-10(8-19)13(16)20)22-14(18-9)11-4-2-3-6-17-11/h2-4,6,10H,5,7-8H2,1H3,(H2,16,20)/t10-/m0/s1
InChIKeyAOUQKILQNMFRBL-JTQLQIEISA-N
MW316.39 g/mol
LogP1.46
Rot. Bonds3

About (3S)-1-(4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbonyl)pyrrolidine-3-carboxamide

(3S)-1-(4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbonyl)pyrrolidine-3-carboxamide (PubChem CID 95137194) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is (3S)-1-(4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbonyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbonyl)pyrrolidine-3-carboxamide
PubChem CID95137194
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC Name(3S)-1-(4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbonyl)pyrrolidine-3-carboxamide
SMILESCc1nc(-c2ccccn2)sc1C(=O)N1CC[C@H](C(N)=O)C1
InChIInChI=1S/C15H16N4O2S/c1-9-12(15(21)19-7-5-10(8-19)13(16)20)22-14(18-9)11-4-2-3-6-17-11/h2-4,6,10H,5,7-8H2,1H3,(H2,16,20)/t10-/m0/s1
InChIKeyAOUQKILQNMFRBL-JTQLQIEISA-N
XLogP1.46
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbonyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbonyl)pyrrolidine-3-carboxamide (CID 95137194) is (3S)-1-(4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbonyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbonyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbonyl)pyrrolidine-3-carboxamide is Cc1nc(-c2ccccn2)sc1C(=O)N1CC[C@H](C(N)=O)C1.
What is the InChIKey of (3S)-1-(4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbonyl)pyrrolidine-3-carboxamide?
The InChIKey is AOUQKILQNMFRBL-JTQLQIEISA-N. The full InChI is InChI=1S/C15H16N4O2S/c1-9-12(15(21)19-7-5-10(8-19)13(16)20)22-14(18-9)11-4-2-3-6-17-11/h2-4,6,10H,5,7-8H2,1H3,(H2,16,20)/t10-/m0/s1.
What are the key properties of (3S)-1-(4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbonyl)pyrrolidine-3-carboxamide?
(3S)-1-(4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbonyl)pyrrolidine-3-carboxamide has a molecular weight of 316.39 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbonyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 95137194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).