(2S)-N-(1,3-thiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

C13H13N3O2S2 — CID 2474608

IUPAC(2S)-N-(1,3-thiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1nccs1)[C@@H]1CCCN1C(=O)c1cccs1
InChIInChI=1S/C13H13N3O2S2/c17-11(15-13-14-5-8-20-13)9-3-1-6-16(9)12(18)10-4-2-7-19-10/h2,4-5,7-9H,1,3,6H2,(H,14,15,17)/t9-/m0/s1
InChIKeyNFAOQXWWNJBIEQ-VIFPVBQESA-N
MW307.40 g/mol
LogP2.45
Rot. Bonds3

About (2S)-N-(1,3-thiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

(2S)-N-(1,3-thiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 2474608) has the molecular formula C13H13N3O2S2 and a molecular weight of 307.40 g/mol. Its IUPAC name is (2S)-N-(1,3-thiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(1,3-thiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
PubChem CID2474608
Molecular FormulaC13H13N3O2S2
Molecular Weight307.40 g/mol
Exact Mass307.04
IUPAC Name(2S)-N-(1,3-thiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1nccs1)[C@@H]1CCCN1C(=O)c1cccs1
InChIInChI=1S/C13H13N3O2S2/c17-11(15-13-14-5-8-20-13)9-3-1-6-16(9)12(18)10-4-2-7-19-10/h2,4-5,7-9H,1,3,6H2,(H,14,15,17)/t9-/m0/s1
InChIKeyNFAOQXWWNJBIEQ-VIFPVBQESA-N
XLogP2.45
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1,3-thiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(1,3-thiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (CID 2474608) is (2S)-N-(1,3-thiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(1,3-thiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(1,3-thiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is O=C(Nc1nccs1)[C@@H]1CCCN1C(=O)c1cccs1.
What is the InChIKey of (2S)-N-(1,3-thiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is NFAOQXWWNJBIEQ-VIFPVBQESA-N. The full InChI is InChI=1S/C13H13N3O2S2/c17-11(15-13-14-5-8-20-13)9-3-1-6-16(9)12(18)10-4-2-7-19-10/h2,4-5,7-9H,1,3,6H2,(H,14,15,17)/t9-/m0/s1.
What are the key properties of (2S)-N-(1,3-thiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
(2S)-N-(1,3-thiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 307.40 g/mol, XLogP of 2.45, 3 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)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 2474608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).