2-[4-(2-chlorophenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide

C13H10ClN5OS — CID 155547910

IUPAC2-[4-(2-chlorophenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Cn1cc(-c2ccccc2Cl)nn1)Nc1nccs1
InChIInChI=1S/C13H10ClN5OS/c14-10-4-2-1-3-9(10)11-7-19(18-17-11)8-12(20)16-13-15-5-6-21-13/h1-7H,8H2,(H,15,16,20)
InChIKeyIAIJQSKUAHGDIH-UHFFFAOYSA-N
MW319.78 g/mol
LogP2.69
Rot. Bonds4

About 2-[4-(2-chlorophenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide

2-[4-(2-chlorophenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 155547910) has the molecular formula C13H10ClN5OS and a molecular weight of 319.78 g/mol. Its IUPAC name is 2-[4-(2-chlorophenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(2-chlorophenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID155547910
Molecular FormulaC13H10ClN5OS
Molecular Weight319.78 g/mol
Exact Mass319.03
IUPAC Name2-[4-(2-chlorophenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Cn1cc(-c2ccccc2Cl)nn1)Nc1nccs1
InChIInChI=1S/C13H10ClN5OS/c14-10-4-2-1-3-9(10)11-7-19(18-17-11)8-12(20)16-13-15-5-6-21-13/h1-7H,8H2,(H,15,16,20)
InChIKeyIAIJQSKUAHGDIH-UHFFFAOYSA-N
XLogP2.69
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.78
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(4-fluorophenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 155510898
N-(4-methyl-1,3-thiazol-2-yl)-2-[4-(4-nitrophenyl)triazol-1-yl]acetamide
CID 155510998
2-[4-(4-cyanophenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 155515390
N-(4-methyl-1,3-thiazol-2-yl)-2-(4-pyridin-4-yltriazol-1-yl)acetamide
CID 155518619
2-[4-(4-chlorophenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 155518758
2-(4-pyridin-4-yltriazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 155536231
2-[4-(3-aminophenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 155552622
N-(1,3-benzothiazol-2-yl)-2-[4-(4-chlorophenyl)triazol-1-yl]acetamide
CID 155553876
2-[4-(4-fluorophenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 155569390
N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide
CID 2446277
N-[5-(2-Chloro-benzyl)-thiazol-2-yl]-2-(1-phenyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 992929
2-[4-(4-chlorophenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 155535295

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chlorophenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-(2-chlorophenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 155547910) is 2-[4-(2-chlorophenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-(2-chlorophenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-(2-chlorophenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide is O=C(Cn1cc(-c2ccccc2Cl)nn1)Nc1nccs1.
What is the InChIKey of 2-[4-(2-chlorophenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is IAIJQSKUAHGDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN5OS/c14-10-4-2-1-3-9(10)11-7-19(18-17-11)8-12(20)16-13-15-5-6-21-13/h1-7H,8H2,(H,15,16,20).
What are the key properties of 2-[4-(2-chlorophenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[4-(2-chlorophenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 319.78 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chlorophenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 155547910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).