N-[5-(3-chlorophenyl)-1H-1,2,4-triazol-3-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide

C13H12ClN5O2S — CID 56822682

IUPACN-[5-(3-chlorophenyl)-1H-1,2,4-triazol-3-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESO=C(CN1CSCC1=O)Nc1n[nH]c(-c2cccc(Cl)c2)n1
InChIInChI=1S/C13H12ClN5O2S/c14-9-3-1-2-8(4-9)12-16-13(18-17-12)15-10(20)5-19-7-22-6-11(19)21/h1-4H,5-7H2,(H2,15,16,17,18,20)
InChIKeyKKILVZCSJHSBBZ-UHFFFAOYSA-N
MW337.79 g/mol
LogP1.60
Rot. Bonds4

About N-[5-(3-chlorophenyl)-1H-1,2,4-triazol-3-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide

N-[5-(3-chlorophenyl)-1H-1,2,4-triazol-3-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (PubChem CID 56822682) has the molecular formula C13H12ClN5O2S and a molecular weight of 337.79 g/mol. Its IUPAC name is N-[5-(3-chlorophenyl)-1H-1,2,4-triazol-3-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[5-(3-chlorophenyl)-1H-1,2,4-triazol-3-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
PubChem CID56822682
Molecular FormulaC13H12ClN5O2S
Molecular Weight337.79 g/mol
Exact Mass337.04
IUPAC NameN-[5-(3-chlorophenyl)-1H-1,2,4-triazol-3-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESO=C(CN1CSCC1=O)Nc1n[nH]c(-c2cccc(Cl)c2)n1
InChIInChI=1S/C13H12ClN5O2S/c14-9-3-1-2-8(4-9)12-16-13(18-17-12)15-10(20)5-19-7-22-6-11(19)21/h1-4H,5-7H2,(H2,15,16,17,18,20)
InChIKeyKKILVZCSJHSBBZ-UHFFFAOYSA-N
XLogP1.60
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.79
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1H-indazol-7-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 34201906
N-[3-[(4-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 9120334
3,5-dichloro-4-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzoic acid
CID 82811304
4-[[5-(3-chlorophenyl)-1H-1,2,4-triazol-3-yl]amino]benzoic acid
CID 71563760
N-(5-chloro-2-methoxyphenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 26094914
3-chloro-N-(5-phenyl-1H-1,2,4-triazol-3-yl)benzamide
CID 17410284
N-(3-acetylphenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 9095755
N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 17457754
N-(3-chloro-4-methylphenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 8762067
2-(4-oxo-1,3-thiazolidin-3-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 31510009
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 83102521
N-(2,6-dimethylphenyl)-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetamide
CID 27760086

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-chlorophenyl)-1H-1,2,4-triazol-3-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of N-[5-(3-chlorophenyl)-1H-1,2,4-triazol-3-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (CID 56822682) is N-[5-(3-chlorophenyl)-1H-1,2,4-triazol-3-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for N-[5-(3-chlorophenyl)-1H-1,2,4-triazol-3-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for N-[5-(3-chlorophenyl)-1H-1,2,4-triazol-3-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is O=C(CN1CSCC1=O)Nc1n[nH]c(-c2cccc(Cl)c2)n1.
What is the InChIKey of N-[5-(3-chlorophenyl)-1H-1,2,4-triazol-3-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is KKILVZCSJHSBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN5O2S/c14-9-3-1-2-8(4-9)12-16-13(18-17-12)15-10(20)5-19-7-22-6-11(19)21/h1-4H,5-7H2,(H2,15,16,17,18,20).
What are the key properties of N-[5-(3-chlorophenyl)-1H-1,2,4-triazol-3-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
N-[5-(3-chlorophenyl)-1H-1,2,4-triazol-3-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide has a molecular weight of 337.79 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-chlorophenyl)-1H-1,2,4-triazol-3-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 56822682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).