5-methyl-2-(1,2-thiazol-3-yl)hex-3-yn-2-ol

C10H13NOS — CID 176629056

IUPAC5-methyl-2-(1,2-thiazol-3-yl)hex-3-yn-2-ol
SMILESCC(C)C#CC(C)(O)c1ccsn1
InChIInChI=1S/C10H13NOS/c1-8(2)4-6-10(3,12)9-5-7-13-11-9/h5,7-8,12H,1-3H3
InChIKeyCLLMMJUARQIYFI-UHFFFAOYSA-N
MW195.29 g/mol
LogP2.01
Rot. Bonds1

About 5-methyl-2-(1,2-thiazol-3-yl)hex-3-yn-2-ol

5-methyl-2-(1,2-thiazol-3-yl)hex-3-yn-2-ol (PubChem CID 176629056) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is 5-methyl-2-(1,2-thiazol-3-yl)hex-3-yn-2-ol.

Molecular Properties

Compound Name5-methyl-2-(1,2-thiazol-3-yl)hex-3-yn-2-ol
PubChem CID176629056
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name5-methyl-2-(1,2-thiazol-3-yl)hex-3-yn-2-ol
SMILESCC(C)C#CC(C)(O)c1ccsn1
InChIInChI=1S/C10H13NOS/c1-8(2)4-6-10(3,12)9-5-7-13-11-9/h5,7-8,12H,1-3H3
InChIKeyCLLMMJUARQIYFI-UHFFFAOYSA-N
XLogP2.01
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(Isothiazol-3-yl)ethanol
CID 19017861
(1S)-1-(1,2-thiazol-3-yl)ethanol
CID 118480475
2-(1,2-Thiazol-3-yl)propan-2-ol
CID 119097575
3-Methyl-2-(1,2-thiazol-3-yl)butan-2-ol
CID 126985702
1-Cyclopropyl-2-(1,2-thiazol-3-yl)propan-2-ol
CID 126985747
3-(1,2-Thiazol-3-yl)thiolan-3-ol
CID 126985770
4-Methyl-1-(1,2-thiazol-3-yl)cyclohexan-1-ol
CID 127002594
1-Cyclopropyl-1-(1,2-thiazol-3-yl)propan-1-ol
CID 127002599
1-Methoxy-2-(1,2-thiazol-3-yl)propan-2-ol
CID 130604800
Dicyclopropyl(1,2-thiazol-3-yl)methanol
CID 130604879
3-Methyl-1-(1,2-thiazol-3-yl)cyclobutan-1-ol
CID 130604943
5-Methyl-3-(1,2-thiazol-3-yl)thiolan-3-ol
CID 130604949

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(1,2-thiazol-3-yl)hex-3-yn-2-ol?
The IUPAC name of 5-methyl-2-(1,2-thiazol-3-yl)hex-3-yn-2-ol (CID 176629056) is 5-methyl-2-(1,2-thiazol-3-yl)hex-3-yn-2-ol.
What is the SMILES notation for 5-methyl-2-(1,2-thiazol-3-yl)hex-3-yn-2-ol?
The canonical SMILES for 5-methyl-2-(1,2-thiazol-3-yl)hex-3-yn-2-ol is CC(C)C#CC(C)(O)c1ccsn1.
What is the InChIKey of 5-methyl-2-(1,2-thiazol-3-yl)hex-3-yn-2-ol?
The InChIKey is CLLMMJUARQIYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c1-8(2)4-6-10(3,12)9-5-7-13-11-9/h5,7-8,12H,1-3H3.
What are the key properties of 5-methyl-2-(1,2-thiazol-3-yl)hex-3-yn-2-ol?
5-methyl-2-(1,2-thiazol-3-yl)hex-3-yn-2-ol has a molecular weight of 195.29 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(1,2-thiazol-3-yl)hex-3-yn-2-ol is sourced from PubChem (CID 176629056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).