(3S)-5-oxo-1-phenyl-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]pyrrolidine-3-carboxamide

C21H19N5O2S2 — CID 51896061

IUPAC(3S)-5-oxo-1-phenyl-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]pyrrolidine-3-carboxamide
SMILESO=C(NCCc1csc2nc(-c3cccs3)nn12)[C@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C21H19N5O2S2/c27-18-11-14(12-25(18)15-5-2-1-3-6-15)20(28)22-9-8-16-13-30-21-23-19(24-26(16)21)17-7-4-10-29-17/h1-7,10,13-14H,8-9,11-12H2,(H,22,28)/t14-/m0/s1
InChIKeyWGYSJIXSOSGIAY-AWEZNQCLSA-N
MW437.55 g/mol
LogP3.23
Rot. Bonds6

About (3S)-5-oxo-1-phenyl-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]pyrrolidine-3-carboxamide

(3S)-5-oxo-1-phenyl-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 51896061) has the molecular formula C21H19N5O2S2 and a molecular weight of 437.55 g/mol. Its IUPAC name is (3S)-5-oxo-1-phenyl-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-5-oxo-1-phenyl-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]pyrrolidine-3-carboxamide
PubChem CID51896061
Molecular FormulaC21H19N5O2S2
Molecular Weight437.55 g/mol
Exact Mass437.10
IUPAC Name(3S)-5-oxo-1-phenyl-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]pyrrolidine-3-carboxamide
SMILESO=C(NCCc1csc2nc(-c3cccs3)nn12)[C@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C21H19N5O2S2/c27-18-11-14(12-25(18)15-5-2-1-3-6-15)20(28)22-9-8-16-13-30-21-23-19(24-26(16)21)17-7-4-10-29-17/h1-7,10,13-14H,8-9,11-12H2,(H,22,28)/t14-/m0/s1
InChIKeyWGYSJIXSOSGIAY-AWEZNQCLSA-N
XLogP3.23
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.55
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-bromo-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]benzamide
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2-naphthalen-1-yl-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]acetamide
CID 44976671
5-oxo-1-phenyl-N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide
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N'-(2-methylphenyl)-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]oxamide
CID 44826640
(3S)-N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 97104827
2-(4-methoxyphenoxy)-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]acetamide
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(3S)-1-(4-fluorophenyl)-5-oxo-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide
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N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 90508466
N-(2-aminoethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide;hydrochloride
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(3S)-N-(2-acetamidoethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 94094414
N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]cyclopentanecarboxamide
CID 7530989
(3R)-5-oxo-1-phenyl-N-(4-phenylbutyl)pyrrolidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (3S)-5-oxo-1-phenyl-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-5-oxo-1-phenyl-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]pyrrolidine-3-carboxamide (CID 51896061) is (3S)-5-oxo-1-phenyl-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-5-oxo-1-phenyl-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-5-oxo-1-phenyl-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]pyrrolidine-3-carboxamide is O=C(NCCc1csc2nc(-c3cccs3)nn12)[C@H]1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of (3S)-5-oxo-1-phenyl-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is WGYSJIXSOSGIAY-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H19N5O2S2/c27-18-11-14(12-25(18)15-5-2-1-3-6-15)20(28)22-9-8-16-13-30-21-23-19(24-26(16)21)17-7-4-10-29-17/h1-7,10,13-14H,8-9,11-12H2,(H,22,28)/t14-/m0/s1.
What are the key properties of (3S)-5-oxo-1-phenyl-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]pyrrolidine-3-carboxamide?
(3S)-5-oxo-1-phenyl-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 437.55 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-oxo-1-phenyl-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 51896061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).