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

C11H17N3OS — CID 61482477

IUPAC(2S)-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESCC(C)c1csc(NC(=O)[C@@H]2CCCN2)n1
InChIInChI=1S/C11H17N3OS/c1-7(2)9-6-16-11(13-9)14-10(15)8-4-3-5-12-8/h6-8,12H,3-5H2,1-2H3,(H,13,14,15)/t8-/m0/s1
InChIKeyIRILGVSMCBTOQE-QMMMGPOBSA-N
MW239.34 g/mol
LogP1.96
Rot. Bonds3

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

(2S)-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (PubChem CID 61482477) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is (2S)-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
PubChem CID61482477
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name(2S)-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESCC(C)c1csc(NC(=O)[C@@H]2CCCN2)n1
InChIInChI=1S/C11H17N3OS/c1-7(2)9-6-16-11(13-9)14-10(15)8-4-3-5-12-8/h6-8,12H,3-5H2,1-2H3,(H,13,14,15)/t8-/m0/s1
InChIKeyIRILGVSMCBTOQE-QMMMGPOBSA-N
XLogP1.96
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 18072813
N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxamide
CID 61482668
N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-pyrrolidin-2-ylacetamide
CID 54958427
N-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 54958477
(2R)-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 103795480
N-[4-(methoxymethyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
CID 119301038
N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 119282737
N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]piperidine-2-carboxamide
CID 119271224
N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidine-2-carboxamide
CID 70865086
(2R)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide
CID 113267552
2-(cyclopentylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 54958579
N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 60710833

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (CID 61482477) is (2S)-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is CC(C)c1csc(NC(=O)[C@@H]2CCCN2)n1.
What is the InChIKey of (2S)-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is IRILGVSMCBTOQE-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-7(2)9-6-16-11(13-9)14-10(15)8-4-3-5-12-8/h6-8,12H,3-5H2,1-2H3,(H,13,14,15)/t8-/m0/s1.
What are the key properties of (2S)-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
(2S)-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 239.34 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 61482477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).