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

C14H13N5O2S — CID 155532011

IUPAC2-[4-(4-methoxyphenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc(-c2cn(CC(=O)Nc3nccs3)nn2)cc1
InChIInChI=1S/C14H13N5O2S/c1-21-11-4-2-10(3-5-11)12-8-19(18-17-12)9-13(20)16-14-15-6-7-22-14/h2-8H,9H2,1H3,(H,15,16,20)
InChIKeyGUUBJSBENWDZAT-UHFFFAOYSA-N
MW315.36 g/mol
LogP2.05
Rot. Bonds5

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

2-[4-(4-methoxyphenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 155532011) has the molecular formula C14H13N5O2S and a molecular weight of 315.36 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID155532011
Molecular FormulaC14H13N5O2S
Molecular Weight315.36 g/mol
Exact Mass315.08
IUPAC Name2-[4-(4-methoxyphenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc(-c2cn(CC(=O)Nc3nccs3)nn2)cc1
InChIInChI=1S/C14H13N5O2S/c1-21-11-4-2-10(3-5-11)12-8-19(18-17-12)9-13(20)16-14-15-6-7-22-14/h2-8H,9H2,1H3,(H,15,16,20)
InChIKeyGUUBJSBENWDZAT-UHFFFAOYSA-N
XLogP2.05
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-(4-methoxyphenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-(4-methoxyphenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 155532011) is 2-[4-(4-methoxyphenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-(4-methoxyphenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide is COc1ccc(-c2cn(CC(=O)Nc3nccs3)nn2)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is GUUBJSBENWDZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2S/c1-21-11-4-2-10(3-5-11)12-8-19(18-17-12)9-13(20)16-14-15-6-7-22-14/h2-8H,9H2,1H3,(H,15,16,20).
What are the key properties of 2-[4-(4-methoxyphenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[4-(4-methoxyphenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 315.36 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 155532011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).