(2R)-N-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide

C14H21N3O2S — CID 96565673

IUPAC(2R)-N-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESCc1cnc([C@@H](NC(=O)N2CCC[C@@H]2CO)C2CC2)s1
InChIInChI=1S/C14H21N3O2S/c1-9-7-15-13(20-9)12(10-4-5-10)16-14(19)17-6-2-3-11(17)8-18/h7,10-12,18H,2-6,8H2,1H3,(H,16,19)/t11-,12+/m1/s1
InChIKeyIIQULNYNMDAHBK-NEPJUHHUSA-N
MW295.41 g/mol
LogP2.07
Rot. Bonds4

About (2R)-N-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide

(2R)-N-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide (PubChem CID 96565673) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is (2R)-N-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
PubChem CID96565673
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name(2R)-N-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESCc1cnc([C@@H](NC(=O)N2CCC[C@@H]2CO)C2CC2)s1
InChIInChI=1S/C14H21N3O2S/c1-9-7-15-13(20-9)12(10-4-5-10)16-14(19)17-6-2-3-11(17)8-18/h7,10-12,18H,2-6,8H2,1H3,(H,16,19)/t11-,12+/m1/s1
InChIKeyIIQULNYNMDAHBK-NEPJUHHUSA-N
XLogP2.07
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide (CID 96565673) is (2R)-N-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide is Cc1cnc([C@@H](NC(=O)N2CCC[C@@H]2CO)C2CC2)s1.
What is the InChIKey of (2R)-N-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The InChIKey is IIQULNYNMDAHBK-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-9-7-15-13(20-9)12(10-4-5-10)16-14(19)17-6-2-3-11(17)8-18/h7,10-12,18H,2-6,8H2,1H3,(H,16,19)/t11-,12+/m1/s1.
What are the key properties of (2R)-N-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
(2R)-N-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide has a molecular weight of 295.41 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 96565673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).