2-(1,2-thiazol-3-yl)pentan-2-ol

C8H13NOS — CID 130634722

IUPAC2-(1,2-thiazol-3-yl)pentan-2-ol
SMILESCCCC(C)(O)c1ccsn1
InChIInChI=1S/C8H13NOS/c1-3-5-8(2,10)7-4-6-11-9-7/h4,6,10H,3,5H2,1-2H3
InChIKeyWGNVAQOFKNDHDL-UHFFFAOYSA-N
MW171.26 g/mol
LogP2.15
Rot. Bonds3

About 2-(1,2-thiazol-3-yl)pentan-2-ol

2-(1,2-thiazol-3-yl)pentan-2-ol (PubChem CID 130634722) has the molecular formula C8H13NOS and a molecular weight of 171.26 g/mol. Its IUPAC name is 2-(1,2-thiazol-3-yl)pentan-2-ol.

Molecular Properties

Compound Name2-(1,2-thiazol-3-yl)pentan-2-ol
PubChem CID130634722
Molecular FormulaC8H13NOS
Molecular Weight171.26 g/mol
Exact Mass171.07
IUPAC Name2-(1,2-thiazol-3-yl)pentan-2-ol
SMILESCCCC(C)(O)c1ccsn1
InChIInChI=1S/C8H13NOS/c1-3-5-8(2,10)7-4-6-11-9-7/h4,6,10H,3,5H2,1-2H3
InChIKeyWGNVAQOFKNDHDL-UHFFFAOYSA-N
XLogP2.15
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-Difluoro-1-(1,2-thiazol-3-yl)cyclohex-2-en-1-ol
CID 165492024
1-(1,2-Thiazol-3-yl)butan-1-ol
CID 130642506
5-Methyl-2-(1,2-thiazol-3-yl)hex-3-yn-2-ol
CID 176629056
2-(1,2-Thiazol-3-yl)propan-2-ol
CID 119097575
1,2-Dimethyl-4-(1,2-thiazol-3-yl)piperidin-4-ol
CID 126985701
3-Methyl-2-(1,2-thiazol-3-yl)butan-2-ol
CID 126985702
(2,2,3,3-Tetramethylcyclopropyl)-(1,2-thiazol-3-yl)methanol
CID 126985705
2,2,3,3-Tetramethyl-1-(1,2-thiazol-3-yl)butan-1-ol
CID 126985711
1-[Hydroxy(1,2-thiazol-3-yl)methyl]cyclopentan-1-ol
CID 126985713
1-[Hydroxy(1,2-thiazol-3-yl)methyl]cyclohexan-1-ol
CID 126985714
3,3-Dimethyl-1-(1,2-thiazol-3-yl)butane-1,2-diol
CID 126985715
1-(Oxolan-3-yl)-1-(1,2-thiazol-3-yl)propan-1-ol
CID 126985740

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-thiazol-3-yl)pentan-2-ol?
The IUPAC name of 2-(1,2-thiazol-3-yl)pentan-2-ol (CID 130634722) is 2-(1,2-thiazol-3-yl)pentan-2-ol.
What is the SMILES notation for 2-(1,2-thiazol-3-yl)pentan-2-ol?
The canonical SMILES for 2-(1,2-thiazol-3-yl)pentan-2-ol is CCCC(C)(O)c1ccsn1.
What is the InChIKey of 2-(1,2-thiazol-3-yl)pentan-2-ol?
The InChIKey is WGNVAQOFKNDHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NOS/c1-3-5-8(2,10)7-4-6-11-9-7/h4,6,10H,3,5H2,1-2H3.
What are the key properties of 2-(1,2-thiazol-3-yl)pentan-2-ol?
2-(1,2-thiazol-3-yl)pentan-2-ol has a molecular weight of 171.26 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-thiazol-3-yl)pentan-2-ol is sourced from PubChem (CID 130634722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).