4-ethyl-N-(4-methylphenyl)thiadiazole-5-carboxamide

C12H13N3OS — CID 7424197

IUPAC4-ethyl-N-(4-methylphenyl)thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C12H13N3OS/c1-3-10-11(17-15-14-10)12(16)13-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H,13,16)
InChIKeyXEQYMIZZPUJJRJ-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.66
Rot. Bonds3

About 4-ethyl-N-(4-methylphenyl)thiadiazole-5-carboxamide

4-ethyl-N-(4-methylphenyl)thiadiazole-5-carboxamide (PubChem CID 7424197) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 4-ethyl-N-(4-methylphenyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(4-methylphenyl)thiadiazole-5-carboxamide
PubChem CID7424197
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name4-ethyl-N-(4-methylphenyl)thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C12H13N3OS/c1-3-10-11(17-15-14-10)12(16)13-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H,13,16)
InChIKeyXEQYMIZZPUJJRJ-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Tiadinil
CID 2804318
N-[4-(thiadiazol-4-yl)phenyl]cyclopropanecarboxamide
CID 2739181
N-(3-chlorophenyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide
CID 728524
N-(4-methylphenyl)-2-[(4-methyl-1,2,3-thiadiazol-5-yl)carbonyl]-1-hydrazinecarboxamide
CID 1472456
N'-(4-isopropylphenyl)-4-methyl-1,2,3-thiadiazole-5-carbohydrazide
CID 2811458
N'-(2-ethylphenyl)-4-methyl-1,2,3-thiadiazole-5-carbohydrazide
CID 2811990
N1-[4-(1,2,3-thiadiazol-4-yl)phenyl]-2,2-dimethylpropanamide
CID 2739183
4-methyl-N-phenyl-1,2,3-thiadiazole-5-carboxamide
CID 728526
4-methyl-N-(1-phenylethyl)-1,2,3-thiadiazole-5-carboxamide
CID 6916146
N-(4-Isopropylphenyl)-1,2,3-thiadiazole-4-carboxamide
CID 645728
N-(3-chloro-2-methylphenyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide
CID 850800
4-methyl-N-[3-(trifluoromethyl)phenyl]-1,2,3-thiadiazole-5-carboxamide
CID 850235

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(4-methylphenyl)thiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-(4-methylphenyl)thiadiazole-5-carboxamide (CID 7424197) is 4-ethyl-N-(4-methylphenyl)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-(4-methylphenyl)thiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-(4-methylphenyl)thiadiazole-5-carboxamide is CCc1nnsc1C(=O)Nc1ccc(C)cc1.
What is the InChIKey of 4-ethyl-N-(4-methylphenyl)thiadiazole-5-carboxamide?
The InChIKey is XEQYMIZZPUJJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-3-10-11(17-15-14-10)12(16)13-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H,13,16).
What are the key properties of 4-ethyl-N-(4-methylphenyl)thiadiazole-5-carboxamide?
4-ethyl-N-(4-methylphenyl)thiadiazole-5-carboxamide has a molecular weight of 247.32 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(4-methylphenyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 7424197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).