(5-chloro-1,3-thiazol-2-yl)-(4-ethylcyclohexyl)methanol

C12H18ClNOS — CID 107124795

IUPAC(5-chloro-1,3-thiazol-2-yl)-(4-ethylcyclohexyl)methanol
SMILESCCC1CCC(C(O)c2ncc(Cl)s2)CC1
InChIInChI=1S/C12H18ClNOS/c1-2-8-3-5-9(6-4-8)11(15)12-14-7-10(13)16-12/h7-9,11,15H,2-6H2,1H3
InChIKeyKDGQXEXNQGKAKR-UHFFFAOYSA-N
MW259.80 g/mol
LogP4.05
Rot. Bonds3

About (5-chloro-1,3-thiazol-2-yl)-(4-ethylcyclohexyl)methanol

(5-chloro-1,3-thiazol-2-yl)-(4-ethylcyclohexyl)methanol (PubChem CID 107124795) has the molecular formula C12H18ClNOS and a molecular weight of 259.80 g/mol. Its IUPAC name is (5-chloro-1,3-thiazol-2-yl)-(4-ethylcyclohexyl)methanol.

Molecular Properties

Compound Name(5-chloro-1,3-thiazol-2-yl)-(4-ethylcyclohexyl)methanol
PubChem CID107124795
Molecular FormulaC12H18ClNOS
Molecular Weight259.80 g/mol
Exact Mass259.08
IUPAC Name(5-chloro-1,3-thiazol-2-yl)-(4-ethylcyclohexyl)methanol
SMILESCCC1CCC(C(O)c2ncc(Cl)s2)CC1
InChIInChI=1S/C12H18ClNOS/c1-2-8-3-5-9(6-4-8)11(15)12-14-7-10(13)16-12/h7-9,11,15H,2-6H2,1H3
InChIKeyKDGQXEXNQGKAKR-UHFFFAOYSA-N
XLogP4.05
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.80
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-1,3-thiazol-2-yl)-(4-ethylcyclohexyl)methanol?
The IUPAC name of (5-chloro-1,3-thiazol-2-yl)-(4-ethylcyclohexyl)methanol (CID 107124795) is (5-chloro-1,3-thiazol-2-yl)-(4-ethylcyclohexyl)methanol.
What is the SMILES notation for (5-chloro-1,3-thiazol-2-yl)-(4-ethylcyclohexyl)methanol?
The canonical SMILES for (5-chloro-1,3-thiazol-2-yl)-(4-ethylcyclohexyl)methanol is CCC1CCC(C(O)c2ncc(Cl)s2)CC1.
What is the InChIKey of (5-chloro-1,3-thiazol-2-yl)-(4-ethylcyclohexyl)methanol?
The InChIKey is KDGQXEXNQGKAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNOS/c1-2-8-3-5-9(6-4-8)11(15)12-14-7-10(13)16-12/h7-9,11,15H,2-6H2,1H3.
What are the key properties of (5-chloro-1,3-thiazol-2-yl)-(4-ethylcyclohexyl)methanol?
(5-chloro-1,3-thiazol-2-yl)-(4-ethylcyclohexyl)methanol has a molecular weight of 259.80 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1,3-thiazol-2-yl)-(4-ethylcyclohexyl)methanol is sourced from PubChem (CID 107124795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).