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

C14H10N6OS — CID 155515390

IUPAC2-[4-(4-cyanophenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESN#Cc1ccc(-c2cn(CC(=O)Nc3nccs3)nn2)cc1
InChIInChI=1S/C14H10N6OS/c15-7-10-1-3-11(4-2-10)12-8-20(19-18-12)9-13(21)17-14-16-5-6-22-14/h1-6,8H,9H2,(H,16,17,21)
InChIKeyKPUTYPHLZBKMJV-UHFFFAOYSA-N
MW310.34 g/mol
LogP1.91
Rot. Bonds4

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

2-[4-(4-cyanophenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 155515390) has the molecular formula C14H10N6OS and a molecular weight of 310.34 g/mol. Its IUPAC name is 2-[4-(4-cyanophenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(4-cyanophenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID155515390
Molecular FormulaC14H10N6OS
Molecular Weight310.34 g/mol
Exact Mass310.06
IUPAC Name2-[4-(4-cyanophenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESN#Cc1ccc(-c2cn(CC(=O)Nc3nccs3)nn2)cc1
InChIInChI=1S/C14H10N6OS/c15-7-10-1-3-11(4-2-10)12-8-20(19-18-12)9-13(21)17-14-16-5-6-22-14/h1-6,8H,9H2,(H,16,17,21)
InChIKeyKPUTYPHLZBKMJV-UHFFFAOYSA-N
XLogP1.91
TPSA96.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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
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
N-(4-methyl-1,3-thiazol-2-yl)-2-(4-thiophen-2-yltriazol-1-yl)acetamide
CID 155537672
2-[4-(2-chlorophenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 155547910
2-[4-(3-aminophenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 155552622
2-[4-(4-fluorophenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 155569390
2-[4-(3-aminophenyl)triazol-1-yl]-N-(1,3-benzothiazol-2-yl)acetamide
CID 155522188
2-[4-(4-chlorophenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 155535295
2-[4-(2-chlorophenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 155552550

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-cyanophenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-(4-cyanophenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 155515390) is 2-[4-(4-cyanophenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-(4-cyanophenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-(4-cyanophenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide is N#Cc1ccc(-c2cn(CC(=O)Nc3nccs3)nn2)cc1.
What is the InChIKey of 2-[4-(4-cyanophenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is KPUTYPHLZBKMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N6OS/c15-7-10-1-3-11(4-2-10)12-8-20(19-18-12)9-13(21)17-14-16-5-6-22-14/h1-6,8H,9H2,(H,16,17,21).
What are the key properties of 2-[4-(4-cyanophenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[4-(4-cyanophenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 310.34 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-cyanophenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 155515390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).