(2S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide

C18H19N3O3S — CID 94162909

IUPAC(2S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1nc(C2CC2)cs1)[C@@H]1CCCN1C(=O)c1ccccc1O
InChIInChI=1S/C18H19N3O3S/c22-15-6-2-1-4-12(15)17(24)21-9-3-5-14(21)16(23)20-18-19-13(10-25-18)11-7-8-11/h1-2,4,6,10-11,14,22H,3,5,7-9H2,(H,19,20,23)/t14-/m0/s1
InChIKeyPSNHVYDLNNDKPH-AWEZNQCLSA-N
MW357.44 g/mol
LogP2.97
Rot. Bonds4

About (2S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide

(2S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide (PubChem CID 94162909) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is (2S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide
PubChem CID94162909
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name(2S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1nc(C2CC2)cs1)[C@@H]1CCCN1C(=O)c1ccccc1O
InChIInChI=1S/C18H19N3O3S/c22-15-6-2-1-4-12(15)17(24)21-9-3-5-14(21)16(23)20-18-19-13(10-25-18)11-7-8-11/h1-2,4,6,10-11,14,22H,3,5,7-9H2,(H,19,20,23)/t14-/m0/s1
InChIKeyPSNHVYDLNNDKPH-AWEZNQCLSA-N
XLogP2.97
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide (CID 94162909) is (2S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide is O=C(Nc1nc(C2CC2)cs1)[C@@H]1CCCN1C(=O)c1ccccc1O.
What is the InChIKey of (2S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide?
The InChIKey is PSNHVYDLNNDKPH-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19N3O3S/c22-15-6-2-1-4-12(15)17(24)21-9-3-5-14(21)16(23)20-18-19-13(10-25-18)11-7-8-11/h1-2,4,6,10-11,14,22H,3,5,7-9H2,(H,19,20,23)/t14-/m0/s1.
What are the key properties of (2S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide?
(2S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide has a molecular weight of 357.44 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 94162909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).