4-methyl-2-(1,2-thiazol-5-yl)pentan-2-ol

C9H15NOS — CID 130942700

IUPAC4-methyl-2-(1,2-thiazol-5-yl)pentan-2-ol
SMILESCC(C)CC(C)(O)c1ccns1
InChIInChI=1S/C9H15NOS/c1-7(2)6-9(3,11)8-4-5-10-12-8/h4-5,7,11H,6H2,1-3H3
InChIKeyXKOMHFHPOSUPPF-UHFFFAOYSA-N
MW185.29 g/mol
LogP2.40
Rot. Bonds3

About 4-methyl-2-(1,2-thiazol-5-yl)pentan-2-ol

4-methyl-2-(1,2-thiazol-5-yl)pentan-2-ol (PubChem CID 130942700) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is 4-methyl-2-(1,2-thiazol-5-yl)pentan-2-ol.

Molecular Properties

Compound Name4-methyl-2-(1,2-thiazol-5-yl)pentan-2-ol
PubChem CID130942700
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC Name4-methyl-2-(1,2-thiazol-5-yl)pentan-2-ol
SMILESCC(C)CC(C)(O)c1ccns1
InChIInChI=1S/C9H15NOS/c1-7(2)6-9(3,11)8-4-5-10-12-8/h4-5,7,11H,6H2,1-3H3
InChIKeyXKOMHFHPOSUPPF-UHFFFAOYSA-N
XLogP2.40
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(1,2-thiazol-5-yl)ethan-1-ol
CID 95913778
(3,3-Difluorocyclopentyl)-(1,2-thiazol-5-yl)methanol
CID 130826100
2-(2,2-Difluoro-1-methylcyclopropyl)-1-(1,2-thiazol-5-yl)ethan-1-ol
CID 164652164
4,4-Difluoro-1-(1,2-thiazol-5-yl)cyclohexan-1-ol
CID 164659228
4,4-Difluoro-1-(1,2-thiazol-5-yl)cyclohex-2-en-1-ol
CID 165497804
4,4-Difluoro-1-[(1,2-thiazol-5-yl)methyl]cyclohex-2-en-1-ol
CID 165497805
2-(Isothiazol-5-YL)propan-2-OL
CID 45158877
3-Cyclohexyl-1-(1,2-thiazol-5-yl)propan-1-ol
CID 59949219
1-(Isothiazol-5-yl)ethan-1-ol
CID 119029079
4-Methyl-1-[2-(1,2-thiazol-5-yl)ethyl]cyclohex-2-en-1-ol
CID 155190878
1,1-Bis(1,2-thiazol-5-yl)ethan-1-ol
CID 27282123
(1S)-1-(1,2-thiazol-5-yl)ethan-1-ol
CID 95913777

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(1,2-thiazol-5-yl)pentan-2-ol?
The IUPAC name of 4-methyl-2-(1,2-thiazol-5-yl)pentan-2-ol (CID 130942700) is 4-methyl-2-(1,2-thiazol-5-yl)pentan-2-ol.
What is the SMILES notation for 4-methyl-2-(1,2-thiazol-5-yl)pentan-2-ol?
The canonical SMILES for 4-methyl-2-(1,2-thiazol-5-yl)pentan-2-ol is CC(C)CC(C)(O)c1ccns1.
What is the InChIKey of 4-methyl-2-(1,2-thiazol-5-yl)pentan-2-ol?
The InChIKey is XKOMHFHPOSUPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS/c1-7(2)6-9(3,11)8-4-5-10-12-8/h4-5,7,11H,6H2,1-3H3.
What are the key properties of 4-methyl-2-(1,2-thiazol-5-yl)pentan-2-ol?
4-methyl-2-(1,2-thiazol-5-yl)pentan-2-ol has a molecular weight of 185.29 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(1,2-thiazol-5-yl)pentan-2-ol is sourced from PubChem (CID 130942700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).