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

C13H10ClN5OS — CID 155539046

IUPAC2-[4-(3-chlorophenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Cn1cc(-c2cccc(Cl)c2)nn1)Nc1nccs1
InChIInChI=1S/C13H10ClN5OS/c14-10-3-1-2-9(6-10)11-7-19(18-17-11)8-12(20)16-13-15-4-5-21-13/h1-7H,8H2,(H,15,16,20)
InChIKeySGMIMKLTSRPHTE-UHFFFAOYSA-N
MW319.78 g/mol
LogP2.69
Rot. Bonds4

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

2-[4-(3-chlorophenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 155539046) has the molecular formula C13H10ClN5OS and a molecular weight of 319.78 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID155539046
Molecular FormulaC13H10ClN5OS
Molecular Weight319.78 g/mol
Exact Mass319.03
IUPAC Name2-[4-(3-chlorophenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Cn1cc(-c2cccc(Cl)c2)nn1)Nc1nccs1
InChIInChI=1S/C13H10ClN5OS/c14-10-3-1-2-9(6-10)11-7-19(18-17-11)8-12(20)16-13-15-4-5-21-13/h1-7H,8H2,(H,15,16,20)
InChIKeySGMIMKLTSRPHTE-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

CID 155510898
CID 155510898
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CID 155515390
CID 155515390
CID 155518619
CID 155518619
CID 155518758
CID 155518758
CID 155536231
CID 155536231
CID 155547910
CID 155547910
CID 155552622
CID 155552622
CID 155553876
CID 155553876
CID 155569390
CID 155569390
CID 2446277
CID 2446277
CID 44594981
CID 44594981

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-(3-chlorophenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 155539046) is 2-[4-(3-chlorophenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-(3-chlorophenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-(3-chlorophenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide is O=C(Cn1cc(-c2cccc(Cl)c2)nn1)Nc1nccs1.
What is the InChIKey of 2-[4-(3-chlorophenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is SGMIMKLTSRPHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN5OS/c14-10-3-1-2-9(6-10)11-7-19(18-17-11)8-12(20)16-13-15-4-5-21-13/h1-7H,8H2,(H,15,16,20).
What are the key properties of 2-[4-(3-chlorophenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[4-(3-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-(3-chlorophenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 155539046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).