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

C14H13N5OS — CID 73168681

IUPACN-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESCc1nc(-c2ccccc2NC(=O)Cn2cncn2)cs1
InChIInChI=1S/C14H13N5OS/c1-10-17-13(7-21-10)11-4-2-3-5-12(11)18-14(20)6-19-9-15-8-16-19/h2-5,7-9H,6H2,1H3,(H,18,20)
InChIKeyYXBSHQKEAQLGKR-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.35
Rot. Bonds4

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

N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 73168681) has the molecular formula C14H13N5OS and a molecular weight of 299.36 g/mol. Its IUPAC name is N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID73168681
Molecular FormulaC14H13N5OS
Molecular Weight299.36 g/mol
Exact Mass299.08
IUPAC NameN-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESCc1nc(-c2ccccc2NC(=O)Cn2cncn2)cs1
InChIInChI=1S/C14H13N5OS/c1-10-17-13(7-21-10)11-4-2-3-5-12(11)18-14(20)6-19-9-15-8-16-19/h2-5,7-9H,6H2,1H3,(H,18,20)
InChIKeyYXBSHQKEAQLGKR-UHFFFAOYSA-N
XLogP2.35
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(1,2,4-triazol-1-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 N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide (CID 73168681) is N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide is Cc1nc(-c2ccccc2NC(=O)Cn2cncn2)cs1.
What is the InChIKey of N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is YXBSHQKEAQLGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5OS/c1-10-17-13(7-21-10)11-4-2-3-5-12(11)18-14(20)6-19-9-15-8-16-19/h2-5,7-9H,6H2,1H3,(H,18,20).
What are the key properties of N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide?
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 299.36 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 73168681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).