(2S)-N-[1-[2-(dimethylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-thiophen-2-ylpyrrolidine-1-carboxamide

C15H20N6O2S — CID 124608734

IUPAC(2S)-N-[1-[2-(dimethylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
SMILESCN(C)C(=O)Cn1cnc(NC(=O)N2CCC[C@H]2c2cccs2)n1
InChIInChI=1S/C15H20N6O2S/c1-19(2)13(22)9-20-10-16-14(18-20)17-15(23)21-7-3-5-11(21)12-6-4-8-24-12/h4,6,8,10-11H,3,5,7,9H2,1-2H3,(H,17,18,23)/t11-/m0/s1
InChIKeyQNURWZIWHHCLDU-NSHDSACASA-N
MW348.43 g/mol
LogP1.80
Rot. Bonds4

About (2S)-N-[1-[2-(dimethylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-thiophen-2-ylpyrrolidine-1-carboxamide

(2S)-N-[1-[2-(dimethylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-thiophen-2-ylpyrrolidine-1-carboxamide (PubChem CID 124608734) has the molecular formula C15H20N6O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is (2S)-N-[1-[2-(dimethylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-thiophen-2-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-[1-[2-(dimethylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
PubChem CID124608734
Molecular FormulaC15H20N6O2S
Molecular Weight348.43 g/mol
Exact Mass348.14
IUPAC Name(2S)-N-[1-[2-(dimethylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
SMILESCN(C)C(=O)Cn1cnc(NC(=O)N2CCC[C@H]2c2cccs2)n1
InChIInChI=1S/C15H20N6O2S/c1-19(2)13(22)9-20-10-16-14(18-20)17-15(23)21-7-3-5-11(21)12-6-4-8-24-12/h4,6,8,10-11H,3,5,7,9H2,1-2H3,(H,17,18,23)/t11-/m0/s1
InChIKeyQNURWZIWHHCLDU-NSHDSACASA-N
XLogP1.80
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-N-[1-[2-(dimethylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-thiophen-2-ylpyrrolidine-1-carboxamide with MolForge

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Related Compounds

N-[1-[2-(dimethylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 136512167
N-(4-cyclopropylpyrimidin-2-yl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 138047918
(2R)-N-(2-ethoxyphenyl)-2-thiophen-2-ylazepane-1-carboxamide
CID 92503136
(2R)-N-(4-pyrimidin-2-yloxyphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 97012959
(2S)-N-(2-ethylphenyl)-2-thiophen-2-ylazepane-1-carboxamide
CID 92503165
ethyl 4-[[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]amino]benzoate
CID 92500022
(2R)-N-(6-methoxy-3-pyridinyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 94028395
(2S)-N-(2-chloro-4-methylphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 92500015
(2S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 94031880
ethyl (2R)-2-thiophen-2-ylpyrrolidine-1-carboxylate
CID 95358480
N-(3,5-dimethoxyphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 20895956
N-(4-methylphenyl)-2-thiophen-2-ylazepane-1-carboxamide
CID 22586874

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[1-[2-(dimethylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-thiophen-2-ylpyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-[1-[2-(dimethylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-thiophen-2-ylpyrrolidine-1-carboxamide (CID 124608734) is (2S)-N-[1-[2-(dimethylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-thiophen-2-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-[1-[2-(dimethylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-thiophen-2-ylpyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-[1-[2-(dimethylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-thiophen-2-ylpyrrolidine-1-carboxamide is CN(C)C(=O)Cn1cnc(NC(=O)N2CCC[C@H]2c2cccs2)n1.
What is the InChIKey of (2S)-N-[1-[2-(dimethylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-thiophen-2-ylpyrrolidine-1-carboxamide?
The InChIKey is QNURWZIWHHCLDU-NSHDSACASA-N. The full InChI is InChI=1S/C15H20N6O2S/c1-19(2)13(22)9-20-10-16-14(18-20)17-15(23)21-7-3-5-11(21)12-6-4-8-24-12/h4,6,8,10-11H,3,5,7,9H2,1-2H3,(H,17,18,23)/t11-/m0/s1.
What are the key properties of (2S)-N-[1-[2-(dimethylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-thiophen-2-ylpyrrolidine-1-carboxamide?
(2S)-N-[1-[2-(dimethylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-thiophen-2-ylpyrrolidine-1-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[1-[2-(dimethylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-thiophen-2-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 124608734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).