N-(2,4-dimethylphenyl)thiadiazole-4-carboxamide

C11H11N3OS — CID 1454956

IUPACN-(2,4-dimethylphenyl)thiadiazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2csnn2)c(C)c1
InChIInChI=1S/C11H11N3OS/c1-7-3-4-9(8(2)5-7)12-11(15)10-6-16-14-13-10/h3-6H,1-2H3,(H,12,15)
InChIKeyUPSVTRZHSNHYNO-UHFFFAOYSA-N
MW233.30 g/mol
LogP2.41
Rot. Bonds2

About N-(2,4-dimethylphenyl)thiadiazole-4-carboxamide

N-(2,4-dimethylphenyl)thiadiazole-4-carboxamide (PubChem CID 1454956) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)thiadiazole-4-carboxamide
PubChem CID1454956
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC NameN-(2,4-dimethylphenyl)thiadiazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2csnn2)c(C)c1
InChIInChI=1S/C11H11N3OS/c1-7-3-4-9(8(2)5-7)12-11(15)10-6-16-14-13-10/h3-6H,1-2H3,(H,12,15)
InChIKeyUPSVTRZHSNHYNO-UHFFFAOYSA-N
XLogP2.41
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,4-dimethylphenyl)thiadiazole-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N1-[4-(1,2,3-thiadiazol-4-yl)phenyl]-2,2-dimethylpropanamide
CID 2739183
N-(4-Isopropylphenyl)-1,2,3-thiadiazole-4-carboxamide
CID 645728
N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide
CID 3219191
N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(2-phenylphenyl)thiadiazole-4-carboxamide
CID 3222136
[1,2,3]Thiadiazole-4-carboxylic acid (phenethylcarbamoyl-methyl)-p-tolyl-amide
CID 24792289
[1,2,3]Thiadiazole-4-carboxylic acid cyclohexylcarbamoylmethyl-(2,6-dimethyl-phenyl)-amide
CID 24792722
N-(2,4-dimethylphenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide
CID 1452190
N-(2,6-dimethylphenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide
CID 3222154
N-[4-(1,2,3-thiadiazol-4-ylcarbonylamino)phenyl]acetamide
CID 16015191
[1,2,3]Thiadiazole-4-carboxylic acid (phenethylcarbamoyl-methyl)-o-tolyl-amide
CID 24792326
[1,2,3]Thiadiazole-4-carboxylic acid (benzylcarbamoyl-methyl)-(2,4,6-trimethyl-phenyl)-amide
CID 1445654
[1,2,3]Thiadiazole-4-carboxylic acid cyclohexylcarbamoylmethyl-(3,5-dimethyl-phenyl)-amide
CID 3219279

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)thiadiazole-4-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)thiadiazole-4-carboxamide (CID 1454956) is N-(2,4-dimethylphenyl)thiadiazole-4-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)thiadiazole-4-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)thiadiazole-4-carboxamide is Cc1ccc(NC(=O)c2csnn2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)thiadiazole-4-carboxamide?
The InChIKey is UPSVTRZHSNHYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-7-3-4-9(8(2)5-7)12-11(15)10-6-16-14-13-10/h3-6H,1-2H3,(H,12,15).
What are the key properties of N-(2,4-dimethylphenyl)thiadiazole-4-carboxamide?
N-(2,4-dimethylphenyl)thiadiazole-4-carboxamide has a molecular weight of 233.30 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 1454956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).