N-(3-chloro-4-methylphenyl)-4-methylthiadiazole-5-carboxamide

C11H10ClN3OS — CID 2804318

IUPACN-(3-chloro-4-methylphenyl)-4-methylthiadiazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2snnc2C)cc1Cl
InChIInChI=1S/C11H10ClN3OS/c1-6-3-4-8(5-9(6)12)13-11(16)10-7(2)14-15-17-10/h3-5H,1-2H3,(H,13,16)
InChIKeyVJQYLJSMBWXGDV-UHFFFAOYSA-N
MW267.74 g/mol
LogP3.06
Rot. Bonds2

About N-(3-chloro-4-methylphenyl)-4-methylthiadiazole-5-carboxamide

N-(3-chloro-4-methylphenyl)-4-methylthiadiazole-5-carboxamide (PubChem CID 2804318) has the molecular formula C11H10ClN3OS and a molecular weight of 267.74 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-4-methylthiadiazole-5-carboxamide
PubChem CID2804318
Molecular FormulaC11H10ClN3OS
Molecular Weight267.74 g/mol
Exact Mass267.02
IUPAC NameN-(3-chloro-4-methylphenyl)-4-methylthiadiazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2snnc2C)cc1Cl
InChIInChI=1S/C11H10ClN3OS/c1-6-3-4-8(5-9(6)12)13-11(16)10-7(2)14-15-17-10/h3-5H,1-2H3,(H,13,16)
InChIKeyVJQYLJSMBWXGDV-UHFFFAOYSA-N
XLogP3.06
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-chloro-4-methylphenyl)-4-methylthiadiazole-5-carboxamide 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-(3-chloro-4-methylphenyl)-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-4-methylthiadiazole-5-carboxamide (CID 2804318) is N-(3-chloro-4-methylphenyl)-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-4-methylthiadiazole-5-carboxamide is Cc1ccc(NC(=O)c2snnc2C)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-4-methylthiadiazole-5-carboxamide?
The InChIKey is VJQYLJSMBWXGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3OS/c1-6-3-4-8(5-9(6)12)13-11(16)10-7(2)14-15-17-10/h3-5H,1-2H3,(H,13,16).
What are the key properties of N-(3-chloro-4-methylphenyl)-4-methylthiadiazole-5-carboxamide?
N-(3-chloro-4-methylphenyl)-4-methylthiadiazole-5-carboxamide has a molecular weight of 267.74 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 2804318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).