N-(2,4-dimethylphenyl)thiadiazole-5-carboxamide

C11H11N3OS — CID 47259565

IUPACN-(2,4-dimethylphenyl)thiadiazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cnns2)c(C)c1
InChIInChI=1S/C11H11N3OS/c1-7-3-4-9(8(2)5-7)13-11(15)10-6-12-14-16-10/h3-6H,1-2H3,(H,13,15)
InChIKeyRNDTZCDPZUMSNV-UHFFFAOYSA-N
MW233.30 g/mol
LogP2.41
Rot. Bonds2

About N-(2,4-dimethylphenyl)thiadiazole-5-carboxamide

N-(2,4-dimethylphenyl)thiadiazole-5-carboxamide (PubChem CID 47259565) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)thiadiazole-5-carboxamide
PubChem CID47259565
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC NameN-(2,4-dimethylphenyl)thiadiazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cnns2)c(C)c1
InChIInChI=1S/C11H11N3OS/c1-7-3-4-9(8(2)5-7)13-11(15)10-6-12-14-16-10/h3-6H,1-2H3,(H,13,15)
InChIKeyRNDTZCDPZUMSNV-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

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Related Compounds

3-methyl-4-(thiadiazole-5-carbonylamino)benzenesulfonyl chloride
CID 65216209
N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]thiadiazole-5-carboxamide
CID 65215724
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]thiadiazole-5-carboxamide
CID 82766896
(2,4-dimethylphenyl)-(thiadiazol-5-yl)methanone
CID 105097899
N-(3-hydroxy-2-methylphenyl)thiadiazole-5-carboxamide
CID 65215255
N-(2,4-dimethylphenyl)-4-methylbenzamide
CID 774370
N-[2-methyl-4-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]oxyphenyl]thiadiazole-5-carboxamide
CID 124874989
N,N'-bis(2,4-dimethylphenyl)oxamide
CID 3416969
2-amino-N-(2,4-dimethylphenyl)benzamide;hydrochloride
CID 170900117
3-fluoro-4-(thiadiazole-5-carbonylamino)benzoic acid
CID 55157917
N-(2,4-dimethylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 71393848
N-(2,4-dimethylphenyl)pyridazine-3-carboxamide
CID 110857188

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)thiadiazole-5-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)thiadiazole-5-carboxamide (CID 47259565) is N-(2,4-dimethylphenyl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)thiadiazole-5-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)thiadiazole-5-carboxamide is Cc1ccc(NC(=O)c2cnns2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)thiadiazole-5-carboxamide?
The InChIKey is RNDTZCDPZUMSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-7-3-4-9(8(2)5-7)13-11(15)10-6-12-14-16-10/h3-6H,1-2H3,(H,13,15).
What are the key properties of N-(2,4-dimethylphenyl)thiadiazole-5-carboxamide?
N-(2,4-dimethylphenyl)thiadiazole-5-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-5-carboxamide is sourced from PubChem (CID 47259565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).