5-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)hexan-1-ol

C13H23NOS — CID 58499202

IUPAC5-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)hexan-1-ol
SMILESCC(C)c1csc(C(CCCO)C(C)C)n1
InChIInChI=1S/C13H23NOS/c1-9(2)11(6-5-7-15)13-14-12(8-16-13)10(3)4/h8-11,15H,5-7H2,1-4H3
InChIKeyZKIPTYVPYRNCEL-UHFFFAOYSA-N
MW241.40 g/mol
LogP3.78
Rot. Bonds6

About 5-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)hexan-1-ol

5-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)hexan-1-ol (PubChem CID 58499202) has the molecular formula C13H23NOS and a molecular weight of 241.40 g/mol. Its IUPAC name is 5-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)hexan-1-ol.

Molecular Properties

Compound Name5-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)hexan-1-ol
PubChem CID58499202
Molecular FormulaC13H23NOS
Molecular Weight241.40 g/mol
Exact Mass241.15
IUPAC Name5-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)hexan-1-ol
SMILESCC(C)c1csc(C(CCCO)C(C)C)n1
InChIInChI=1S/C13H23NOS/c1-9(2)11(6-5-7-15)13-14-12(8-16-13)10(3)4/h8-11,15H,5-7H2,1-4H3
InChIKeyZKIPTYVPYRNCEL-UHFFFAOYSA-N
XLogP3.78
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)butan-1-ol
CID 116891359
2-(3-methylheptan-4-yl)-4-propan-2-yl-1,3-thiazole
CID 123588816
4-(4-propan-2-yl-1,3-thiazol-2-yl)butan-1-ol
CID 116968635
(4-propan-2-yl-1,3-thiazol-2-yl)methanol
CID 10678505
1-(4-propan-2-yl-1,3-thiazol-2-yl)heptan-1-amine
CID 61331075
N-methyl-3-methylsulfanyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine
CID 61331155
N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)octan-1-amine
CID 61330560
N-ethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)pentan-1-amine
CID 61331622
N-propan-2-yl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine
CID 61333650
3-methyl-2-(4-phenyl-1,3-thiazol-2-yl)butan-1-ol
CID 116967334
3-ethylsulfanyl-N-propan-2-yl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine
CID 116504477
2-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-ol
CID 116865464

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)hexan-1-ol?
The IUPAC name of 5-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)hexan-1-ol (CID 58499202) is 5-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)hexan-1-ol.
What is the SMILES notation for 5-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)hexan-1-ol?
The canonical SMILES for 5-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)hexan-1-ol is CC(C)c1csc(C(CCCO)C(C)C)n1.
What is the InChIKey of 5-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)hexan-1-ol?
The InChIKey is ZKIPTYVPYRNCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOS/c1-9(2)11(6-5-7-15)13-14-12(8-16-13)10(3)4/h8-11,15H,5-7H2,1-4H3.
What are the key properties of 5-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)hexan-1-ol?
5-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)hexan-1-ol has a molecular weight of 241.40 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)hexan-1-ol is sourced from PubChem (CID 58499202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).