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

C12H13N3OS — CID 100748441

IUPACN-ethyl-4-(4-methylphenyl)thiadiazole-5-carboxamide
SMILESCCNC(=O)c1snnc1-c1ccc(C)cc1
InChIInChI=1S/C12H13N3OS/c1-3-13-12(16)11-10(14-15-17-11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H,13,16)
InChIKeyUEFKIHVZGMMAHV-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.26
Rot. Bonds3

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

N-ethyl-4-(4-methylphenyl)thiadiazole-5-carboxamide (PubChem CID 100748441) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is N-ethyl-4-(4-methylphenyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-(4-methylphenyl)thiadiazole-5-carboxamide
PubChem CID100748441
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC NameN-ethyl-4-(4-methylphenyl)thiadiazole-5-carboxamide
SMILESCCNC(=O)c1snnc1-c1ccc(C)cc1
InChIInChI=1S/C12H13N3OS/c1-3-13-12(16)11-10(14-15-17-11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H,13,16)
InChIKeyUEFKIHVZGMMAHV-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-bromophenyl)-N-ethylthiadiazole-5-carboxamide
CID 100750357
4-(4-methylphenyl)-N-[(4-methylphenyl)methyl]thiadiazole-5-carboxamide
CID 100748542
4-(4-methylphenyl)-N-[(2R)-pentan-2-yl]thiadiazole-5-carboxamide
CID 100749107
N-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)thiadiazole-5-carboxamide
CID 100748562
N-ethyl-4-(3-methoxyphenyl)thiadiazole-5-carboxamide
CID 100746623
N-ethyl-4-methylthiadiazole-5-carboxamide
CID 60660728
N-(3-methylphenyl)-4-(4-methylphenyl)thiadiazole-5-carboxamide
CID 100748644
N-benzhydryl-4-(4-methylphenyl)thiadiazole-5-carboxamide
CID 100749195
4-(4-chlorophenyl)-N-(3-methoxypropyl)thiadiazole-5-carboxamide
CID 100747676
methyl 2-[[4-(4-methylphenyl)thiadiazole-5-carbonyl]amino]benzoate
CID 100748907
4-(4-bromophenyl)-N-butan-2-ylthiadiazole-5-carboxamide
CID 133200556
N-(2,5-dimethoxyphenyl)-4-(4-methylphenyl)thiadiazole-5-carboxamide
CID 100748871

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(4-methylphenyl)thiadiazole-5-carboxamide?
The IUPAC name of N-ethyl-4-(4-methylphenyl)thiadiazole-5-carboxamide (CID 100748441) is N-ethyl-4-(4-methylphenyl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-ethyl-4-(4-methylphenyl)thiadiazole-5-carboxamide?
The canonical SMILES for N-ethyl-4-(4-methylphenyl)thiadiazole-5-carboxamide is CCNC(=O)c1snnc1-c1ccc(C)cc1.
What is the InChIKey of N-ethyl-4-(4-methylphenyl)thiadiazole-5-carboxamide?
The InChIKey is UEFKIHVZGMMAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-3-13-12(16)11-10(14-15-17-11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H,13,16).
What are the key properties of N-ethyl-4-(4-methylphenyl)thiadiazole-5-carboxamide?
N-ethyl-4-(4-methylphenyl)thiadiazole-5-carboxamide has a molecular weight of 247.32 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(4-methylphenyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 100748441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).