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

C13H21NOS — CID 116967273

IUPAC2-(4-cyclohexyl-1,3-thiazol-2-yl)butan-1-ol
SMILESCCC(CO)c1nc(C2CCCCC2)cs1
InChIInChI=1S/C13H21NOS/c1-2-10(8-15)13-14-12(9-16-13)11-6-4-3-5-7-11/h9-11,15H,2-8H2,1H3
InChIKeyNJPDRQVJDDYEJN-UHFFFAOYSA-N
MW239.38 g/mol
LogP3.68
Rot. Bonds4

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

2-(4-cyclohexyl-1,3-thiazol-2-yl)butan-1-ol (PubChem CID 116967273) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 2-(4-cyclohexyl-1,3-thiazol-2-yl)butan-1-ol.

Molecular Properties

Compound Name2-(4-cyclohexyl-1,3-thiazol-2-yl)butan-1-ol
PubChem CID116967273
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name2-(4-cyclohexyl-1,3-thiazol-2-yl)butan-1-ol
SMILESCCC(CO)c1nc(C2CCCCC2)cs1
InChIInChI=1S/C13H21NOS/c1-2-10(8-15)13-14-12(9-16-13)11-6-4-3-5-7-11/h9-11,15H,2-8H2,1H3
InChIKeyNJPDRQVJDDYEJN-UHFFFAOYSA-N
XLogP3.68
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexyl-1,3-thiazol-2-yl)butan-1-ol?
The IUPAC name of 2-(4-cyclohexyl-1,3-thiazol-2-yl)butan-1-ol (CID 116967273) is 2-(4-cyclohexyl-1,3-thiazol-2-yl)butan-1-ol.
What is the SMILES notation for 2-(4-cyclohexyl-1,3-thiazol-2-yl)butan-1-ol?
The canonical SMILES for 2-(4-cyclohexyl-1,3-thiazol-2-yl)butan-1-ol is CCC(CO)c1nc(C2CCCCC2)cs1.
What is the InChIKey of 2-(4-cyclohexyl-1,3-thiazol-2-yl)butan-1-ol?
The InChIKey is NJPDRQVJDDYEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-2-10(8-15)13-14-12(9-16-13)11-6-4-3-5-7-11/h9-11,15H,2-8H2,1H3.
What are the key properties of 2-(4-cyclohexyl-1,3-thiazol-2-yl)butan-1-ol?
2-(4-cyclohexyl-1,3-thiazol-2-yl)butan-1-ol has a molecular weight of 239.38 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexyl-1,3-thiazol-2-yl)butan-1-ol is sourced from PubChem (CID 116967273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).