N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide

C16H19N3O2S — CID 803244

IUPACN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nnc(C3CCCCC3)s2)cc1
InChIInChI=1S/C16H19N3O2S/c1-21-13-9-7-11(8-10-13)14(20)17-16-19-18-15(22-16)12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H,17,19,20)
InChIKeyRGXANDYXQABUGE-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.85
Rot. Bonds4

About N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide

N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide (PubChem CID 803244) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide
PubChem CID803244
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nnc(C3CCCCC3)s2)cc1
InChIInChI=1S/C16H19N3O2S/c1-21-13-9-7-11(8-10-13)14(20)17-16-19-18-15(22-16)12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H,17,19,20)
InChIKeyRGXANDYXQABUGE-UHFFFAOYSA-N
XLogP3.85
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-6-methoxy-1H-indole-2-carboxamide
CID 38485260
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-fluoro-2-[(4-methoxybenzoyl)amino]benzamide
CID 86881719
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-pentoxybenzamide
CID 4501787
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,4-dimethoxybenzamide
CID 18075073
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-methylsulfanylbenzamide
CID 18189556
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 22198602
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 17398394
4-(carbamoylamino)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide
CID 78770285
N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 45267483
5-(4-acetylphenyl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 16572094
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,6-dimethoxybenzamide
CID 13239341
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzamide
CID 167907390

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide?
The IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide (CID 803244) is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide.
What is the SMILES notation for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide?
The canonical SMILES for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2nnc(C3CCCCC3)s2)cc1.
What is the InChIKey of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide?
The InChIKey is RGXANDYXQABUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-21-13-9-7-11(8-10-13)14(20)17-16-19-18-15(22-16)12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H,17,19,20).
What are the key properties of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide?
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide has a molecular weight of 317.41 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide is sourced from PubChem (CID 803244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).