cyclohexyl-(5-iodo-1,3-thiazol-2-yl)methanol

C10H14INOS — CID 130541405

IUPACcyclohexyl-(5-iodo-1,3-thiazol-2-yl)methanol
SMILESOC(c1ncc(I)s1)C1CCCCC1
InChIInChI=1S/C10H14INOS/c11-8-6-12-10(14-8)9(13)7-4-2-1-3-5-7/h6-7,9,13H,1-5H2
InChIKeyDWTODUPWDRZZKD-UHFFFAOYSA-N
MW323.20 g/mol
LogP3.36
Rot. Bonds2

About cyclohexyl-(5-iodo-1,3-thiazol-2-yl)methanol

cyclohexyl-(5-iodo-1,3-thiazol-2-yl)methanol (PubChem CID 130541405) has the molecular formula C10H14INOS and a molecular weight of 323.20 g/mol. Its IUPAC name is cyclohexyl-(5-iodo-1,3-thiazol-2-yl)methanol.

Molecular Properties

Compound Namecyclohexyl-(5-iodo-1,3-thiazol-2-yl)methanol
PubChem CID130541405
Molecular FormulaC10H14INOS
Molecular Weight323.20 g/mol
Exact Mass322.98
IUPAC Namecyclohexyl-(5-iodo-1,3-thiazol-2-yl)methanol
SMILESOC(c1ncc(I)s1)C1CCCCC1
InChIInChI=1S/C10H14INOS/c11-8-6-12-10(14-8)9(13)7-4-2-1-3-5-7/h6-7,9,13H,1-5H2
InChIKeyDWTODUPWDRZZKD-UHFFFAOYSA-N
XLogP3.36
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.20
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(5-chloro-1,3-thiazol-2-yl)-(3-methylcyclohexyl)methanol
CID 107125095
cyclohexyl(pyrimidin-2-yl)methanol
CID 60798580
cycloheptyl-(5-methylpyrimidin-2-yl)methanol
CID 82931992
1-(5-iodo-1,3-thiazol-2-yl)-2-(trifluoromethyl)prop-2-en-1-ol
CID 130564686
(R)-cycloheptyl(phenyl)methanol
CID 94502427
cyclohexyl-(5-methyl-1,3-thiazol-2-yl)methanamine
CID 43559031
1-(5-iodo-1,3-thiazol-2-yl)-2-(2,4,6-trimethylphenyl)ethanol
CID 112755578
dimagnesium;5-[cyclohexyl(hydroxy)methyl]pyrimidine-2,4-diolate;dichloride
CID 139215023
(S)-cyclohexyl(pyridin-4-yl)methanol
CID 166771545
CID 10501710
CID 10501710
(S)-cyclopentyl(phenyl)methanol
CID 36691435
2-cyclopropyl-5-iodo-1,3-thiazole
CID 126976994

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(5-iodo-1,3-thiazol-2-yl)methanol?
The IUPAC name of cyclohexyl-(5-iodo-1,3-thiazol-2-yl)methanol (CID 130541405) is cyclohexyl-(5-iodo-1,3-thiazol-2-yl)methanol.
What is the SMILES notation for cyclohexyl-(5-iodo-1,3-thiazol-2-yl)methanol?
The canonical SMILES for cyclohexyl-(5-iodo-1,3-thiazol-2-yl)methanol is OC(c1ncc(I)s1)C1CCCCC1.
What is the InChIKey of cyclohexyl-(5-iodo-1,3-thiazol-2-yl)methanol?
The InChIKey is DWTODUPWDRZZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14INOS/c11-8-6-12-10(14-8)9(13)7-4-2-1-3-5-7/h6-7,9,13H,1-5H2.
What are the key properties of cyclohexyl-(5-iodo-1,3-thiazol-2-yl)methanol?
cyclohexyl-(5-iodo-1,3-thiazol-2-yl)methanol has a molecular weight of 323.20 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(5-iodo-1,3-thiazol-2-yl)methanol is sourced from PubChem (CID 130541405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).