1-(5-phenylthiadiazol-4-yl)cyclohexan-1-ol

C14H16N2OS — CID 13494835

IUPAC1-(5-phenylthiadiazol-4-yl)cyclohexan-1-ol
SMILESOC1(c2nnsc2-c2ccccc2)CCCCC1
InChIInChI=1S/C14H16N2OS/c17-14(9-5-2-6-10-14)13-12(18-16-15-13)11-7-3-1-4-8-11/h1,3-4,7-8,17H,2,5-6,9-10H2
InChIKeyVOIIUSXVOMOPQW-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.36
Rot. Bonds2

About 1-(5-phenylthiadiazol-4-yl)cyclohexan-1-ol

1-(5-phenylthiadiazol-4-yl)cyclohexan-1-ol (PubChem CID 13494835) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 1-(5-phenylthiadiazol-4-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(5-phenylthiadiazol-4-yl)cyclohexan-1-ol
PubChem CID13494835
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name1-(5-phenylthiadiazol-4-yl)cyclohexan-1-ol
SMILESOC1(c2nnsc2-c2ccccc2)CCCCC1
InChIInChI=1S/C14H16N2OS/c17-14(9-5-2-6-10-14)13-12(18-16-15-13)11-7-3-1-4-8-11/h1,3-4,7-8,17H,2,5-6,9-10H2
InChIKeyVOIIUSXVOMOPQW-UHFFFAOYSA-N
XLogP3.36
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(4-Fluorophenyl)-1,2,3-thiadiazol-4-yl]methanol
CID 69206022
1-(4-Fluorophenyl)-2-methyl-1-(4-methylthiadiazol-5-yl)propan-1-ol
CID 174925088
2-(5-Phenylthiadiazol-4-yl)propan-2-ol
CID 13494833
Phenyl-(5-phenylthiadiazol-4-yl)methanol
CID 13494837
1-(5-Phenylthiadiazol-4-yl)butan-1-ol
CID 13494838
2-(4-Fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanol
CID 105076984
1-(4-Ethylthiadiazol-5-yl)-2-(4-fluorophenyl)ethanol
CID 105077031
1-(4-Tert-butylthiadiazol-5-yl)-2-(4-fluorophenyl)ethanol
CID 105077051
2-(4-Fluorophenyl)-1-(4-propylthiadiazol-5-yl)ethanol
CID 105077053
(4-Ethylthiadiazol-5-yl)-(4-fluorophenyl)methanol
CID 105077264
(4-Fluorophenyl)-(4-propylthiadiazol-5-yl)methanol
CID 105077282
2-(2-Fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanol
CID 105077682

Frequently Asked Questions

What is the IUPAC name of 1-(5-phenylthiadiazol-4-yl)cyclohexan-1-ol?
The IUPAC name of 1-(5-phenylthiadiazol-4-yl)cyclohexan-1-ol (CID 13494835) is 1-(5-phenylthiadiazol-4-yl)cyclohexan-1-ol.
What is the SMILES notation for 1-(5-phenylthiadiazol-4-yl)cyclohexan-1-ol?
The canonical SMILES for 1-(5-phenylthiadiazol-4-yl)cyclohexan-1-ol is OC1(c2nnsc2-c2ccccc2)CCCCC1.
What is the InChIKey of 1-(5-phenylthiadiazol-4-yl)cyclohexan-1-ol?
The InChIKey is VOIIUSXVOMOPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c17-14(9-5-2-6-10-14)13-12(18-16-15-13)11-7-3-1-4-8-11/h1,3-4,7-8,17H,2,5-6,9-10H2.
What are the key properties of 1-(5-phenylthiadiazol-4-yl)cyclohexan-1-ol?
1-(5-phenylthiadiazol-4-yl)cyclohexan-1-ol has a molecular weight of 260.36 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-phenylthiadiazol-4-yl)cyclohexan-1-ol is sourced from PubChem (CID 13494835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).