1-(4-chlorophenyl)-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-5-oxopyrrolidine-3-carboxamide

C16H14ClN5O2S — CID 108800132

IUPAC1-(4-chlorophenyl)-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1csc2nc(NC(=O)C3CC(=O)N(c4ccc(Cl)cc4)C3)nn12
InChIInChI=1S/C16H14ClN5O2S/c1-9-8-25-16-19-15(20-22(9)16)18-14(24)10-6-13(23)21(7-10)12-4-2-11(17)3-5-12/h2-5,8,10H,6-7H2,1H3,(H,18,20,24)
InChIKeyBTUFFMUUNKVYCD-UHFFFAOYSA-N
MW375.84 g/mol
LogP2.74
Rot. Bonds3

About 1-(4-chlorophenyl)-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-5-oxopyrrolidine-3-carboxamide

1-(4-chlorophenyl)-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 108800132) has the molecular formula C16H14ClN5O2S and a molecular weight of 375.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID108800132
Molecular FormulaC16H14ClN5O2S
Molecular Weight375.84 g/mol
Exact Mass375.06
IUPAC Name1-(4-chlorophenyl)-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1csc2nc(NC(=O)C3CC(=O)N(c4ccc(Cl)cc4)C3)nn12
InChIInChI=1S/C16H14ClN5O2S/c1-9-8-25-16-19-15(20-22(9)16)18-14(24)10-6-13(23)21(7-10)12-4-2-11(17)3-5-12/h2-5,8,10H,6-7H2,1H3,(H,18,20,24)
InChIKeyBTUFFMUUNKVYCD-UHFFFAOYSA-N
XLogP2.74
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.84
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(4-chlorophenyl)-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-5-oxopyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108728492
1-(4-methylphenyl)-N-[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 108728056
(3R)-1-(4-chlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 7438824
1-(4-methylphenyl)-5-oxo-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)pyrrolidine-3-carboxamide
CID 108727895
1-benzyl-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 108763157
1-(4-chlorophenyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 108787231
N-[6-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108728950
ethyl 4-[4-[[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 108752272
(3S)-1-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 691179
(3R)-1-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 691180
(3S)-1-(4-chlorophenyl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 805632
1-[4-[2-(4-chlorophenyl)ethenyl]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 68615960

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-5-oxopyrrolidine-3-carboxamide (CID 108800132) is 1-(4-chlorophenyl)-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-5-oxopyrrolidine-3-carboxamide is Cc1csc2nc(NC(=O)C3CC(=O)N(c4ccc(Cl)cc4)C3)nn12.
What is the InChIKey of 1-(4-chlorophenyl)-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BTUFFMUUNKVYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O2S/c1-9-8-25-16-19-15(20-22(9)16)18-14(24)10-6-13(23)21(7-10)12-4-2-11(17)3-5-12/h2-5,8,10H,6-7H2,1H3,(H,18,20,24).
What are the key properties of 1-(4-chlorophenyl)-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
1-(4-chlorophenyl)-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 375.84 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 108800132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).