2-(4-cyclohexylphenyl)-1,3,4-thiadiazole

C14H16N2S — CID 174383495

IUPAC2-(4-cyclohexylphenyl)-1,3,4-thiadiazole
SMILESc1nnc(-c2ccc(C3CCCCC3)cc2)s1
InChIInChI=1S/C14H16N2S/c1-2-4-11(5-3-1)12-6-8-13(9-7-12)14-16-15-10-17-14/h6-11H,1-5H2
InChIKeyWIGDNJBVYZZJLM-UHFFFAOYSA-N
MW244.36 g/mol
LogP4.25
Rot. Bonds2

About 2-(4-cyclohexylphenyl)-1,3,4-thiadiazole

2-(4-cyclohexylphenyl)-1,3,4-thiadiazole (PubChem CID 174383495) has the molecular formula C14H16N2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 2-(4-cyclohexylphenyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(4-cyclohexylphenyl)-1,3,4-thiadiazole
PubChem CID174383495
Molecular FormulaC14H16N2S
Molecular Weight244.36 g/mol
Exact Mass244.10
IUPAC Name2-(4-cyclohexylphenyl)-1,3,4-thiadiazole
SMILESc1nnc(-c2ccc(C3CCCCC3)cc2)s1
InChIInChI=1S/C14H16N2S/c1-2-4-11(5-3-1)12-6-8-13(9-7-12)14-16-15-10-17-14/h6-11H,1-5H2
InChIKeyWIGDNJBVYZZJLM-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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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylphenyl)-1,3,4-thiadiazole?
The IUPAC name of 2-(4-cyclohexylphenyl)-1,3,4-thiadiazole (CID 174383495) is 2-(4-cyclohexylphenyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(4-cyclohexylphenyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(4-cyclohexylphenyl)-1,3,4-thiadiazole is c1nnc(-c2ccc(C3CCCCC3)cc2)s1.
What is the InChIKey of 2-(4-cyclohexylphenyl)-1,3,4-thiadiazole?
The InChIKey is WIGDNJBVYZZJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S/c1-2-4-11(5-3-1)12-6-8-13(9-7-12)14-16-15-10-17-14/h6-11H,1-5H2.
What are the key properties of 2-(4-cyclohexylphenyl)-1,3,4-thiadiazole?
2-(4-cyclohexylphenyl)-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-(4-cyclohexylphenyl)-1,3,4-thiadiazole is sourced from PubChem (CID 174383495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).