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

C11H16ClNOS — CID 107125095

IUPAC(5-chloro-1,3-thiazol-2-yl)-(3-methylcyclohexyl)methanol
SMILESCC1CCCC(C(O)c2ncc(Cl)s2)C1
InChIInChI=1S/C11H16ClNOS/c1-7-3-2-4-8(5-7)10(14)11-13-6-9(12)15-11/h6-8,10,14H,2-5H2,1H3
InChIKeyHFTOHLYNGGURAU-UHFFFAOYSA-N
MW245.77 g/mol
LogP3.66
Rot. Bonds2

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

(5-chloro-1,3-thiazol-2-yl)-(3-methylcyclohexyl)methanol (PubChem CID 107125095) has the molecular formula C11H16ClNOS and a molecular weight of 245.77 g/mol. Its IUPAC name is (5-chloro-1,3-thiazol-2-yl)-(3-methylcyclohexyl)methanol.

Molecular Properties

Compound Name(5-chloro-1,3-thiazol-2-yl)-(3-methylcyclohexyl)methanol
PubChem CID107125095
Molecular FormulaC11H16ClNOS
Molecular Weight245.77 g/mol
Exact Mass245.06
IUPAC Name(5-chloro-1,3-thiazol-2-yl)-(3-methylcyclohexyl)methanol
SMILESCC1CCCC(C(O)c2ncc(Cl)s2)C1
InChIInChI=1S/C11H16ClNOS/c1-7-3-2-4-8(5-7)10(14)11-13-6-9(12)15-11/h6-8,10,14H,2-5H2,1H3
InChIKeyHFTOHLYNGGURAU-UHFFFAOYSA-N
XLogP3.66
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.77
LogP ≤ 53.66
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)-(3-methylcyclohexyl)methanol?
The IUPAC name of (5-chloro-1,3-thiazol-2-yl)-(3-methylcyclohexyl)methanol (CID 107125095) is (5-chloro-1,3-thiazol-2-yl)-(3-methylcyclohexyl)methanol.
What is the SMILES notation for (5-chloro-1,3-thiazol-2-yl)-(3-methylcyclohexyl)methanol?
The canonical SMILES for (5-chloro-1,3-thiazol-2-yl)-(3-methylcyclohexyl)methanol is CC1CCCC(C(O)c2ncc(Cl)s2)C1.
What is the InChIKey of (5-chloro-1,3-thiazol-2-yl)-(3-methylcyclohexyl)methanol?
The InChIKey is HFTOHLYNGGURAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNOS/c1-7-3-2-4-8(5-7)10(14)11-13-6-9(12)15-11/h6-8,10,14H,2-5H2,1H3.
What are the key properties of (5-chloro-1,3-thiazol-2-yl)-(3-methylcyclohexyl)methanol?
(5-chloro-1,3-thiazol-2-yl)-(3-methylcyclohexyl)methanol has a molecular weight of 245.77 g/mol, XLogP of 3.66, 2 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)-(3-methylcyclohexyl)methanol is sourced from PubChem (CID 107125095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).