N-(4-propan-2-ylphenyl)thiadiazole-4-carboxamide

C12H13N3OS — CID 645728

IUPACN-(4-propan-2-ylphenyl)thiadiazole-4-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2csnn2)cc1
InChIInChI=1S/C12H13N3OS/c1-8(2)9-3-5-10(6-4-9)13-12(16)11-7-17-15-14-11/h3-8H,1-2H3,(H,13,16)
InChIKeyMWGIOCHDRCEZFP-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.91
Rot. Bonds3

About N-(4-propan-2-ylphenyl)thiadiazole-4-carboxamide

N-(4-propan-2-ylphenyl)thiadiazole-4-carboxamide (PubChem CID 645728) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is N-(4-propan-2-ylphenyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-propan-2-ylphenyl)thiadiazole-4-carboxamide
PubChem CID645728
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC NameN-(4-propan-2-ylphenyl)thiadiazole-4-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2csnn2)cc1
InChIInChI=1S/C12H13N3OS/c1-8(2)9-3-5-10(6-4-9)13-12(16)11-7-17-15-14-11/h3-8H,1-2H3,(H,13,16)
InChIKeyMWGIOCHDRCEZFP-UHFFFAOYSA-N
XLogP2.91
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(thiadiazol-4-yl)phenyl]cyclopropanecarboxamide
CID 2739181
N1-[4-(1,2,3-thiadiazol-4-yl)phenyl]-2,2-dimethylpropanamide
CID 2739183
[1,2,3]Thiadiazole-4-carboxylic acid [tert-butylcarbamoyl-(4-dimethylamino-phenyl)-methyl]-cyclopropyl-amide
CID 648193
N-(3,4-dimethylphenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide
CID 1452284
N-(4-ethylphenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide
CID 1452372
N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(4-propan-2-ylphenyl)thiadiazole-4-carboxamide
CID 1452399
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-m-tolyl-amide
CID 3219215
[1,2,3]Thiadiazole-4-carboxylic acid cyclohexylcarbamoylmethyl-(3-ethyl-phenyl)-amide
CID 3222579
N-[4-(1,2,3-thiadiazol-4-ylcarbonylamino)phenyl]acetamide
CID 16015191

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-ylphenyl)thiadiazole-4-carboxamide?
The IUPAC name of N-(4-propan-2-ylphenyl)thiadiazole-4-carboxamide (CID 645728) is N-(4-propan-2-ylphenyl)thiadiazole-4-carboxamide.
What is the SMILES notation for N-(4-propan-2-ylphenyl)thiadiazole-4-carboxamide?
The canonical SMILES for N-(4-propan-2-ylphenyl)thiadiazole-4-carboxamide is CC(C)c1ccc(NC(=O)c2csnn2)cc1.
What is the InChIKey of N-(4-propan-2-ylphenyl)thiadiazole-4-carboxamide?
The InChIKey is MWGIOCHDRCEZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-8(2)9-3-5-10(6-4-9)13-12(16)11-7-17-15-14-11/h3-8H,1-2H3,(H,13,16).
What are the key properties of N-(4-propan-2-ylphenyl)thiadiazole-4-carboxamide?
N-(4-propan-2-ylphenyl)thiadiazole-4-carboxamide has a molecular weight of 247.32 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-ylphenyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 645728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).