cyclohexyl-(4-propan-2-ylthiadiazol-5-yl)methanol

C12H20N2OS — CID 105100605

IUPACcyclohexyl-(4-propan-2-ylthiadiazol-5-yl)methanol
SMILESCC(C)c1nnsc1C(O)C1CCCCC1
InChIInChI=1S/C12H20N2OS/c1-8(2)10-12(16-14-13-10)11(15)9-6-4-3-5-7-9/h8-9,11,15H,3-7H2,1-2H3
InChIKeyIBLOFBSBWQYISJ-UHFFFAOYSA-N
MW240.37 g/mol
LogP3.28
Rot. Bonds3

About cyclohexyl-(4-propan-2-ylthiadiazol-5-yl)methanol

cyclohexyl-(4-propan-2-ylthiadiazol-5-yl)methanol (PubChem CID 105100605) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is cyclohexyl-(4-propan-2-ylthiadiazol-5-yl)methanol.

Molecular Properties

Compound Namecyclohexyl-(4-propan-2-ylthiadiazol-5-yl)methanol
PubChem CID105100605
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Namecyclohexyl-(4-propan-2-ylthiadiazol-5-yl)methanol
SMILESCC(C)c1nnsc1C(O)C1CCCCC1
InChIInChI=1S/C12H20N2OS/c1-8(2)10-12(16-14-13-10)11(15)9-6-4-3-5-7-9/h8-9,11,15H,3-7H2,1-2H3
InChIKeyIBLOFBSBWQYISJ-UHFFFAOYSA-N
XLogP3.28
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopentyl-(4-propan-2-ylthiadiazol-5-yl)methanol
CID 105133985
[2-cyclopentyl-1-(4-propan-2-ylthiadiazol-5-yl)ethyl]hydrazine
CID 105299179
(3-methylcyclohexyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine
CID 105155822
2-cyclobutyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 105151560
cycloheptyl-(4-propan-2-ylthiadiazol-5-yl)methanone
CID 105125018
[2-cyclopropyl-1-(4-propan-2-ylthiadiazol-5-yl)ethyl]hydrazine
CID 105311175
2-methoxy-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
CID 105112129
1-(4-propan-2-ylthiadiazol-5-yl)hexan-1-ol
CID 105086118
(3,4-dimethylcyclohexyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine
CID 105154428
N-(2-bromoethyl)-N-cyclohexyl-4-propan-2-ylthiadiazole-5-carboxamide
CID 80658825
(3,5-dimethylcyclohexyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine
CID 105154182
[3-cyclopropyl-1-(4-propan-2-ylthiadiazol-5-yl)propyl]hydrazine
CID 105315237

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(4-propan-2-ylthiadiazol-5-yl)methanol?
The IUPAC name of cyclohexyl-(4-propan-2-ylthiadiazol-5-yl)methanol (CID 105100605) is cyclohexyl-(4-propan-2-ylthiadiazol-5-yl)methanol.
What is the SMILES notation for cyclohexyl-(4-propan-2-ylthiadiazol-5-yl)methanol?
The canonical SMILES for cyclohexyl-(4-propan-2-ylthiadiazol-5-yl)methanol is CC(C)c1nnsc1C(O)C1CCCCC1.
What is the InChIKey of cyclohexyl-(4-propan-2-ylthiadiazol-5-yl)methanol?
The InChIKey is IBLOFBSBWQYISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-8(2)10-12(16-14-13-10)11(15)9-6-4-3-5-7-9/h8-9,11,15H,3-7H2,1-2H3.
What are the key properties of cyclohexyl-(4-propan-2-ylthiadiazol-5-yl)methanol?
cyclohexyl-(4-propan-2-ylthiadiazol-5-yl)methanol has a molecular weight of 240.37 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(4-propan-2-ylthiadiazol-5-yl)methanol is sourced from PubChem (CID 105100605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).