4-(4-cyclohexyl-1,3-thiazol-2-yl)butan-1-ol

C13H21NOS — CID 116968668

IUPAC4-(4-cyclohexyl-1,3-thiazol-2-yl)butan-1-ol
SMILESOCCCCc1nc(C2CCCCC2)cs1
InChIInChI=1S/C13H21NOS/c15-9-5-4-8-13-14-12(10-16-13)11-6-2-1-3-7-11/h10-11,15H,1-9H2
InChIKeyQDGCAQQBAANZIZ-UHFFFAOYSA-N
MW239.38 g/mol
LogP3.51
Rot. Bonds5

About 4-(4-cyclohexyl-1,3-thiazol-2-yl)butan-1-ol

4-(4-cyclohexyl-1,3-thiazol-2-yl)butan-1-ol (PubChem CID 116968668) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 4-(4-cyclohexyl-1,3-thiazol-2-yl)butan-1-ol.

Molecular Properties

Compound Name4-(4-cyclohexyl-1,3-thiazol-2-yl)butan-1-ol
PubChem CID116968668
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name4-(4-cyclohexyl-1,3-thiazol-2-yl)butan-1-ol
SMILESOCCCCc1nc(C2CCCCC2)cs1
InChIInChI=1S/C13H21NOS/c15-9-5-4-8-13-14-12(10-16-13)11-6-2-1-3-7-11/h10-11,15H,1-9H2
InChIKeyQDGCAQQBAANZIZ-UHFFFAOYSA-N
XLogP3.51
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-cyclohexyl-2-propyl-1,3-thiazole
CID 130157916
3-[4-(oxan-3-yl)-1,3-thiazol-2-yl]propan-1-ol
CID 115036298
2-(3-chloropropyl)-4-cyclobutyl-1,3-thiazole
CID 116968630
2-(2-chloroethyl)-4-cyclobutyl-1,3-thiazole
CID 116965575
2-(bromomethyl)-4-cyclopentyl-1,3-thiazole
CID 116970375
2-(4-cyclohexyl-1,3-thiazol-2-yl)ethanethioamide
CID 116868749
4-amino-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]butanamide
CID 119886656
N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-2-(methylamino)acetamide
CID 120704485
2-[4-(thiolan-2-yl)-1,3-thiazol-2-yl]ethanol
CID 115029322
2-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119185022
3-amino-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]butanamide;dihydrochloride
CID 119886645
3-(4-piperidin-3-yl-1,3-thiazol-2-yl)propan-1-amine
CID 115035204

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclohexyl-1,3-thiazol-2-yl)butan-1-ol?
The IUPAC name of 4-(4-cyclohexyl-1,3-thiazol-2-yl)butan-1-ol (CID 116968668) is 4-(4-cyclohexyl-1,3-thiazol-2-yl)butan-1-ol.
What is the SMILES notation for 4-(4-cyclohexyl-1,3-thiazol-2-yl)butan-1-ol?
The canonical SMILES for 4-(4-cyclohexyl-1,3-thiazol-2-yl)butan-1-ol is OCCCCc1nc(C2CCCCC2)cs1.
What is the InChIKey of 4-(4-cyclohexyl-1,3-thiazol-2-yl)butan-1-ol?
The InChIKey is QDGCAQQBAANZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c15-9-5-4-8-13-14-12(10-16-13)11-6-2-1-3-7-11/h10-11,15H,1-9H2.
What are the key properties of 4-(4-cyclohexyl-1,3-thiazol-2-yl)butan-1-ol?
4-(4-cyclohexyl-1,3-thiazol-2-yl)butan-1-ol has a molecular weight of 239.38 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclohexyl-1,3-thiazol-2-yl)butan-1-ol is sourced from PubChem (CID 116968668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).