N-(3-chloro-4-methylphenyl)-4-(difluoromethyl)thiadiazole-5-carboxamide

C11H8ClF2N3OS — CID 135153523

IUPACN-(3-chloro-4-methylphenyl)-4-(difluoromethyl)thiadiazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2snnc2C(F)F)cc1Cl
InChIInChI=1S/C11H8ClF2N3OS/c1-5-2-3-6(4-7(5)12)15-11(18)9-8(10(13)14)16-17-19-9/h2-4,10H,1H3,(H,15,18)
InChIKeyMHBOOHHXOPABON-UHFFFAOYSA-N
MW303.72 g/mol
LogP3.69
Rot. Bonds3

About N-(3-chloro-4-methylphenyl)-4-(difluoromethyl)thiadiazole-5-carboxamide

N-(3-chloro-4-methylphenyl)-4-(difluoromethyl)thiadiazole-5-carboxamide (PubChem CID 135153523) has the molecular formula C11H8ClF2N3OS and a molecular weight of 303.72 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-4-(difluoromethyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-4-(difluoromethyl)thiadiazole-5-carboxamide
PubChem CID135153523
Molecular FormulaC11H8ClF2N3OS
Molecular Weight303.72 g/mol
Exact Mass303.00
IUPAC NameN-(3-chloro-4-methylphenyl)-4-(difluoromethyl)thiadiazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2snnc2C(F)F)cc1Cl
InChIInChI=1S/C11H8ClF2N3OS/c1-5-2-3-6(4-7(5)12)15-11(18)9-8(10(13)14)16-17-19-9/h2-4,10H,1H3,(H,15,18)
InChIKeyMHBOOHHXOPABON-UHFFFAOYSA-N
XLogP3.69
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.72
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-chloro-4-methylphenyl)-4-(difluoromethyl)thiadiazole-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-(difluoromethyl)thiadiazole-5-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-4-(difluoromethyl)thiadiazole-5-carboxamide (CID 135153523) is N-(3-chloro-4-methylphenyl)-4-(difluoromethyl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-4-(difluoromethyl)thiadiazole-5-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-4-(difluoromethyl)thiadiazole-5-carboxamide is Cc1ccc(NC(=O)c2snnc2C(F)F)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-4-(difluoromethyl)thiadiazole-5-carboxamide?
The InChIKey is MHBOOHHXOPABON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF2N3OS/c1-5-2-3-6(4-7(5)12)15-11(18)9-8(10(13)14)16-17-19-9/h2-4,10H,1H3,(H,15,18).
What are the key properties of N-(3-chloro-4-methylphenyl)-4-(difluoromethyl)thiadiazole-5-carboxamide?
N-(3-chloro-4-methylphenyl)-4-(difluoromethyl)thiadiazole-5-carboxamide has a molecular weight of 303.72 g/mol, XLogP of 3.69, 3 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-(difluoromethyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 135153523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).