N-(3-phenyl-1,2,4-thiadiazol-5-yl)cyclohexanecarboxamide

C15H17N3OS — CID 10637031

IUPACN-(3-phenyl-1,2,4-thiadiazol-5-yl)cyclohexanecarboxamide
SMILESO=C(Nc1nc(-c2ccccc2)ns1)C1CCCCC1
InChIInChI=1S/C15H17N3OS/c19-14(12-9-5-2-6-10-12)17-15-16-13(18-20-15)11-7-3-1-4-8-11/h1,3-4,7-8,12H,2,5-6,9-10H2,(H,16,17,18,19)
InChIKeyBSOQQLHCSQDASV-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.72
Rot. Bonds3

About N-(3-phenyl-1,2,4-thiadiazol-5-yl)cyclohexanecarboxamide

N-(3-phenyl-1,2,4-thiadiazol-5-yl)cyclohexanecarboxamide (PubChem CID 10637031) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is N-(3-phenyl-1,2,4-thiadiazol-5-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(3-phenyl-1,2,4-thiadiazol-5-yl)cyclohexanecarboxamide
PubChem CID10637031
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC NameN-(3-phenyl-1,2,4-thiadiazol-5-yl)cyclohexanecarboxamide
SMILESO=C(Nc1nc(-c2ccccc2)ns1)C1CCCCC1
InChIInChI=1S/C15H17N3OS/c19-14(12-9-5-2-6-10-12)17-15-16-13(18-20-15)11-7-3-1-4-8-11/h1,3-4,7-8,12H,2,5-6,9-10H2,(H,16,17,18,19)
InChIKeyBSOQQLHCSQDASV-UHFFFAOYSA-N
XLogP3.72
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclopropanecarbonylamino)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide
CID 55819988
2-cyclohexyloxy-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide
CID 87025493
N-[3-[[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]cyclobutanecarboxamide
CID 133310369
(3-phenyl-1,2,4-thiadiazol-5-yl)carbamothioic S-acid
CID 135291997
4-[(3-phenyl-1,2,4-thiadiazol-5-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122076895
3-cyclopentylsulfonyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide
CID 55880683
4-cyclopentylsulfonyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide
CID 49327440
N-(4,5-diphenyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
CID 2427902
1-phenyl-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea
CID 10803880
1-[(1R,2S)-2-methylcyclopentyl]-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea
CID 99804569
1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea
CID 97023354
3-N-ethyl-1-N-(3-phenyl-1,2,4-thiadiazol-5-yl)azetidine-1,3-dicarboxamide
CID 71862261

Frequently Asked Questions

What is the IUPAC name of N-(3-phenyl-1,2,4-thiadiazol-5-yl)cyclohexanecarboxamide?
The IUPAC name of N-(3-phenyl-1,2,4-thiadiazol-5-yl)cyclohexanecarboxamide (CID 10637031) is N-(3-phenyl-1,2,4-thiadiazol-5-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(3-phenyl-1,2,4-thiadiazol-5-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(3-phenyl-1,2,4-thiadiazol-5-yl)cyclohexanecarboxamide is O=C(Nc1nc(-c2ccccc2)ns1)C1CCCCC1.
What is the InChIKey of N-(3-phenyl-1,2,4-thiadiazol-5-yl)cyclohexanecarboxamide?
The InChIKey is BSOQQLHCSQDASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c19-14(12-9-5-2-6-10-12)17-15-16-13(18-20-15)11-7-3-1-4-8-11/h1,3-4,7-8,12H,2,5-6,9-10H2,(H,16,17,18,19).
What are the key properties of N-(3-phenyl-1,2,4-thiadiazol-5-yl)cyclohexanecarboxamide?
N-(3-phenyl-1,2,4-thiadiazol-5-yl)cyclohexanecarboxamide has a molecular weight of 287.39 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenyl-1,2,4-thiadiazol-5-yl)cyclohexanecarboxamide is sourced from PubChem (CID 10637031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).