N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-cyclohexylbenzamide

C22H23N3OS — CID 68739431

IUPACN-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-cyclohexylbenzamide
SMILESO=C(Nc1nnc(Cc2ccccc2)s1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C22H23N3OS/c26-21(19-13-11-18(12-14-19)17-9-5-2-6-10-17)23-22-25-24-20(27-22)15-16-7-3-1-4-8-16/h1,3-4,7-8,11-14,17H,2,5-6,9-10,15H2,(H,23,25,26)
InChIKeyNPAAJRDQJPXASW-UHFFFAOYSA-N
MW377.51 g/mol
LogP5.43
Rot. Bonds5

About N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-cyclohexylbenzamide

N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-cyclohexylbenzamide (PubChem CID 68739431) has the molecular formula C22H23N3OS and a molecular weight of 377.51 g/mol. Its IUPAC name is N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-cyclohexylbenzamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-cyclohexylbenzamide
PubChem CID68739431
Molecular FormulaC22H23N3OS
Molecular Weight377.51 g/mol
Exact Mass377.16
IUPAC NameN-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-cyclohexylbenzamide
SMILESO=C(Nc1nnc(Cc2ccccc2)s1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C22H23N3OS/c26-21(19-13-11-18(12-14-19)17-9-5-2-6-10-17)23-22-25-24-20(27-22)15-16-7-3-1-4-8-16/h1,3-4,7-8,11-14,17H,2,5-6,9-10,15H2,(H,23,25,26)
InChIKeyNPAAJRDQJPXASW-UHFFFAOYSA-N
XLogP5.43
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.51
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(4-cyclohexylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 2264812
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide
CID 741030
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-[4-[2-(2-methoxyethylamino)-2-oxoethyl]cyclohexyl]benzamide
CID 46852580
[4-[(5-benzyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]carbamic acid
CID 68739824
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-chloro-4-cyclohexyloxybenzamide;carbonic acid
CID 90105954
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-(methoxymethyl)benzamide
CID 18189580
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-(2,5-dimethylpyrrol-1-yl)benzamide
CID 16547310
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3,5-dichlorobenzamide
CID 30581878
4-cyclohexyl-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]benzamide
CID 60547173
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 4800720
2-[4-[4-[[5-(cyclopentyloxymethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]cyclohexyl]acetic acid
CID 46847261
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-chloro-3-iodobenzamide
CID 38903577

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-cyclohexylbenzamide?
The IUPAC name of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-cyclohexylbenzamide (CID 68739431) is N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-cyclohexylbenzamide.
What is the SMILES notation for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-cyclohexylbenzamide?
The canonical SMILES for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-cyclohexylbenzamide is O=C(Nc1nnc(Cc2ccccc2)s1)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-cyclohexylbenzamide?
The InChIKey is NPAAJRDQJPXASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3OS/c26-21(19-13-11-18(12-14-19)17-9-5-2-6-10-17)23-22-25-24-20(27-22)15-16-7-3-1-4-8-16/h1,3-4,7-8,11-14,17H,2,5-6,9-10,15H2,(H,23,25,26).
What are the key properties of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-cyclohexylbenzamide?
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-cyclohexylbenzamide has a molecular weight of 377.51 g/mol, XLogP of 5.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-cyclohexylbenzamide is sourced from PubChem (CID 68739431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).