(2S)-N-(4-methyl-1,3-thiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

C14H15N3O2S2 — CID 2540284

IUPAC(2S)-N-(4-methyl-1,3-thiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESCc1csc(NC(=O)[C@@H]2CCCN2C(=O)c2cccs2)n1
InChIInChI=1S/C14H15N3O2S2/c1-9-8-21-14(15-9)16-12(18)10-4-2-6-17(10)13(19)11-5-3-7-20-11/h3,5,7-8,10H,2,4,6H2,1H3,(H,15,16,18)/t10-/m0/s1
InChIKeyPSNKZPUPUSYJNE-JTQLQIEISA-N
MW321.43 g/mol
LogP2.76
Rot. Bonds3

About (2S)-N-(4-methyl-1,3-thiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

(2S)-N-(4-methyl-1,3-thiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 2540284) has the molecular formula C14H15N3O2S2 and a molecular weight of 321.43 g/mol. Its IUPAC name is (2S)-N-(4-methyl-1,3-thiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(4-methyl-1,3-thiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
PubChem CID2540284
Molecular FormulaC14H15N3O2S2
Molecular Weight321.43 g/mol
Exact Mass321.06
IUPAC Name(2S)-N-(4-methyl-1,3-thiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESCc1csc(NC(=O)[C@@H]2CCCN2C(=O)c2cccs2)n1
InChIInChI=1S/C14H15N3O2S2/c1-9-8-21-14(15-9)16-12(18)10-4-2-6-17(10)13(19)11-5-3-7-20-11/h3,5,7-8,10H,2,4,6H2,1H3,(H,15,16,18)/t10-/m0/s1
InChIKeyPSNKZPUPUSYJNE-JTQLQIEISA-N
XLogP2.76
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-thiophenecarboxamide
CID 1225713
N-(4-methyl-1,3-thiazol-2-yl)-2-thiophenecarboxamide
CID 786375
5-ethyl-N-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 1246066
3-methyl-N-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 2458204
5-chloro-N-(4-(2-oxo-2-(4-(2-oxo-2-(pyrrolidin-1-yl)ethyl)piperazin-1-yl)ethyl)thiazol-2-yl)thiophene-2-carboxamide
CID 42643120
N-(4-tert-Butyl-1,3-thiazol-2-yl)-2-thiophenecarboxamide
CID 574261
(2S)-N-(1,3-thiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 2474608
N-(4-Methyl-thiazol-2-yl)-3-(4-oxo-5-thiophen-2-ylmethylene-2-thioxo-thiazolidin-3-yl)-propionamide
CID 1636997
2-(2,5-dioxopyrrolidin-1-yl)-N-(4-(thiophen-2-yl)thiazol-2-yl)acetamide
CID 2337188
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 653698
5-[1-[2-(dimethylamino)acetyl]pyrrolidin-2-yl]-2-methyl-N-(1,3-thiazol-2-yl)thiophene-3-carboxamide
CID 145993047
3-methyl-N-(1,3-thiazol-2-yl)-2-[(thiophen-2-yl)formamido]butanamide
CID 16357007

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-methyl-1,3-thiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(4-methyl-1,3-thiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (CID 2540284) is (2S)-N-(4-methyl-1,3-thiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(4-methyl-1,3-thiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(4-methyl-1,3-thiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is Cc1csc(NC(=O)[C@@H]2CCCN2C(=O)c2cccs2)n1.
What is the InChIKey of (2S)-N-(4-methyl-1,3-thiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is PSNKZPUPUSYJNE-JTQLQIEISA-N. The full InChI is InChI=1S/C14H15N3O2S2/c1-9-8-21-14(15-9)16-12(18)10-4-2-6-17(10)13(19)11-5-3-7-20-11/h3,5,7-8,10H,2,4,6H2,1H3,(H,15,16,18)/t10-/m0/s1.
What are the key properties of (2S)-N-(4-methyl-1,3-thiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
(2S)-N-(4-methyl-1,3-thiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 321.43 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-methyl-1,3-thiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 2540284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).