(2S)-N-(1,3-thiazol-2-yl)-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide

C14H17N3OS2 — CID 94032736

IUPAC(2S)-N-(1,3-thiazol-2-yl)-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide
SMILESC[C@@H](C(=O)Nc1nccs1)N1CCC[C@@H]1c1ccsc1
InChIInChI=1S/C14H17N3OS2/c1-10(13(18)16-14-15-5-8-20-14)17-6-2-3-12(17)11-4-7-19-9-11/h4-5,7-10,12H,2-3,6H2,1H3,(H,15,16,18)/t10-,12+/m0/s1
InChIKeyPWHSDEQMJFRWFT-CMPLNLGQSA-N
MW307.44 g/mol
LogP3.37
Rot. Bonds4

About (2S)-N-(1,3-thiazol-2-yl)-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide

(2S)-N-(1,3-thiazol-2-yl)-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide (PubChem CID 94032736) has the molecular formula C14H17N3OS2 and a molecular weight of 307.44 g/mol. Its IUPAC name is (2S)-N-(1,3-thiazol-2-yl)-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(1,3-thiazol-2-yl)-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide
PubChem CID94032736
Molecular FormulaC14H17N3OS2
Molecular Weight307.44 g/mol
Exact Mass307.08
IUPAC Name(2S)-N-(1,3-thiazol-2-yl)-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide
SMILESC[C@@H](C(=O)Nc1nccs1)N1CCC[C@@H]1c1ccsc1
InChIInChI=1S/C14H17N3OS2/c1-10(13(18)16-14-15-5-8-20-14)17-6-2-3-12(17)11-4-7-19-9-11/h4-5,7-10,12H,2-3,6H2,1H3,(H,15,16,18)/t10-,12+/m0/s1
InChIKeyPWHSDEQMJFRWFT-CMPLNLGQSA-N
XLogP3.37
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(1,3-thiazol-2-yl)-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide
CID 94032737
(2R)-N-(3-methyl-1,2-oxazol-5-yl)-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide
CID 124838853
(2R)-N-carbamoyl-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide
CID 124860071
(2R)-N-(1,3-benzodioxol-5-yl)-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide
CID 124838819
(2S)-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 95354497
(2R)-1-propan-2-yl-2-thiophen-3-ylpyrrolidine
CID 124500963
(2S)-2-piperidin-1-yl-N-(1,3-thiazol-2-yl)propanamide
CID 40932668
(2R)-N-(1,3-thiazol-2-yl)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 95314731
(2R)-N-pyrimidin-2-yl-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 124829882
N-[2-(4-sulfamoylphenyl)ethyl]-2-(2-thiophen-3-ylpyrrolidin-1-yl)propanamide
CID 47055897
6-(1-propan-2-ylpyrrolidin-2-yl)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 110253678
2-cyclopentyl-N-(1,3-thiazol-2-yl)propanamide
CID 141028315

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1,3-thiazol-2-yl)-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide?
The IUPAC name of (2S)-N-(1,3-thiazol-2-yl)-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide (CID 94032736) is (2S)-N-(1,3-thiazol-2-yl)-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(1,3-thiazol-2-yl)-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide?
The canonical SMILES for (2S)-N-(1,3-thiazol-2-yl)-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide is C[C@@H](C(=O)Nc1nccs1)N1CCC[C@@H]1c1ccsc1.
What is the InChIKey of (2S)-N-(1,3-thiazol-2-yl)-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide?
The InChIKey is PWHSDEQMJFRWFT-CMPLNLGQSA-N. The full InChI is InChI=1S/C14H17N3OS2/c1-10(13(18)16-14-15-5-8-20-14)17-6-2-3-12(17)11-4-7-19-9-11/h4-5,7-10,12H,2-3,6H2,1H3,(H,15,16,18)/t10-,12+/m0/s1.
What are the key properties of (2S)-N-(1,3-thiazol-2-yl)-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide?
(2S)-N-(1,3-thiazol-2-yl)-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide has a molecular weight of 307.44 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1,3-thiazol-2-yl)-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide is sourced from PubChem (CID 94032736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).