2-cyclohexyl-5-phenyl-1,3,4-thiadiazole

C14H16N2S — CID 134968046

IUPAC2-cyclohexyl-5-phenyl-1,3,4-thiadiazole
SMILESc1ccc(-c2nnc(C3CCCCC3)s2)cc1
InChIInChI=1S/C14H16N2S/c1-3-7-11(8-4-1)13-15-16-14(17-13)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2
InChIKeyBLYMYYYZOMTDOC-UHFFFAOYSA-N
MW244.36 g/mol
LogP4.25
Rot. Bonds2

About 2-cyclohexyl-5-phenyl-1,3,4-thiadiazole

2-cyclohexyl-5-phenyl-1,3,4-thiadiazole (PubChem CID 134968046) has the molecular formula C14H16N2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 2-cyclohexyl-5-phenyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-cyclohexyl-5-phenyl-1,3,4-thiadiazole
PubChem CID134968046
Molecular FormulaC14H16N2S
Molecular Weight244.36 g/mol
Exact Mass244.10
IUPAC Name2-cyclohexyl-5-phenyl-1,3,4-thiadiazole
SMILESc1ccc(-c2nnc(C3CCCCC3)s2)cc1
InChIInChI=1S/C14H16N2S/c1-3-7-11(8-4-1)13-15-16-14(17-13)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2
InChIKeyBLYMYYYZOMTDOC-UHFFFAOYSA-N
XLogP4.25
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3,4-Thiadiazole, 2,5-diphenyl-
CID 15080
2-Methyl-5-phenyl-1,3,4-thiadiazole
CID 97425
1,3,4-Thiadiazole, 2-methoxy-5-phenyl-
CID 849918
2-Phenyl-1,3,4-thiadiazole
CID 199501
2-Chloro-5-phenyl-1,3,4-thiadiazole
CID 253145
2-Bromo-5-phenyl-1,3,4-thiadiazole
CID 13104117
2-Benzylsulfanyl-5-phenyl-1,3,4-thiadiazole
CID 22482115
2-(Methylthio)-5-(P-tolyl)-1,3,4-thiadiazole
CID 3555790
[5-(2-Phenylphenyl)-1,3,4-thiadiazol-2-yl]methanamine
CID 13684143
2-[5-(2-Phenylphenyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 13684145
3-(5-(2-Biphenylyl)-1,3,4-thiadiazol-2-yl)propanamine
CID 13684147
2-(Chloromethyl)-5-phenyl-1,3,4-thiadiazole
CID 12514511

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-phenyl-1,3,4-thiadiazole?
The IUPAC name of 2-cyclohexyl-5-phenyl-1,3,4-thiadiazole (CID 134968046) is 2-cyclohexyl-5-phenyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-cyclohexyl-5-phenyl-1,3,4-thiadiazole?
The canonical SMILES for 2-cyclohexyl-5-phenyl-1,3,4-thiadiazole is c1ccc(-c2nnc(C3CCCCC3)s2)cc1.
What is the InChIKey of 2-cyclohexyl-5-phenyl-1,3,4-thiadiazole?
The InChIKey is BLYMYYYZOMTDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S/c1-3-7-11(8-4-1)13-15-16-14(17-13)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2.
What are the key properties of 2-cyclohexyl-5-phenyl-1,3,4-thiadiazole?
2-cyclohexyl-5-phenyl-1,3,4-thiadiazole has a molecular weight of 244.36 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-phenyl-1,3,4-thiadiazole is sourced from PubChem (CID 134968046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).