2-(thian-4-yl)-1-(1,2-thiazol-3-yl)ethanol

C10H15NOS2 — CID 130637260

IUPAC2-(thian-4-yl)-1-(1,2-thiazol-3-yl)ethanol
SMILESOC(CC1CCSCC1)c1ccsn1
InChIInChI=1S/C10H15NOS2/c12-10(9-3-6-14-11-9)7-8-1-4-13-5-2-8/h3,6,8,10,12H,1-2,4-5,7H2
InChIKeyXHOIDFSWQBFHLZ-UHFFFAOYSA-N
MW229.37 g/mol
LogP2.71
Rot. Bonds3

About 2-(thian-4-yl)-1-(1,2-thiazol-3-yl)ethanol

2-(thian-4-yl)-1-(1,2-thiazol-3-yl)ethanol (PubChem CID 130637260) has the molecular formula C10H15NOS2 and a molecular weight of 229.37 g/mol. Its IUPAC name is 2-(thian-4-yl)-1-(1,2-thiazol-3-yl)ethanol.

Molecular Properties

Compound Name2-(thian-4-yl)-1-(1,2-thiazol-3-yl)ethanol
PubChem CID130637260
Molecular FormulaC10H15NOS2
Molecular Weight229.37 g/mol
Exact Mass229.06
IUPAC Name2-(thian-4-yl)-1-(1,2-thiazol-3-yl)ethanol
SMILESOC(CC1CCSCC1)c1ccsn1
InChIInChI=1S/C10H15NOS2/c12-10(9-3-6-14-11-9)7-8-1-4-13-5-2-8/h3,6,8,10,12H,1-2,4-5,7H2
InChIKeyXHOIDFSWQBFHLZ-UHFFFAOYSA-N
XLogP2.71
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,2-Thiazol-3-yl)butan-1-ol
CID 130642506
(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
Thian-2-yl(1,2-thiazol-3-yl)methanol
CID 126985730
1-Cyclopropyl-2-(1,2-thiazol-3-yl)propan-2-ol
CID 126985747
3-(1,2-Thiazol-3-yl)thiolan-3-ol
CID 126985770
Cyclopropyl(1,2-thiazol-3-yl)methanol
CID 127002567
4-Methyl-1-(1,2-thiazol-3-yl)cyclohexan-1-ol
CID 127002594
(1-Methylsulfanylcyclobutyl)-(3-methyl-1,2-thiazol-5-yl)methanol
CID 130604836

Frequently Asked Questions

What is the IUPAC name of 2-(thian-4-yl)-1-(1,2-thiazol-3-yl)ethanol?
The IUPAC name of 2-(thian-4-yl)-1-(1,2-thiazol-3-yl)ethanol (CID 130637260) is 2-(thian-4-yl)-1-(1,2-thiazol-3-yl)ethanol.
What is the SMILES notation for 2-(thian-4-yl)-1-(1,2-thiazol-3-yl)ethanol?
The canonical SMILES for 2-(thian-4-yl)-1-(1,2-thiazol-3-yl)ethanol is OC(CC1CCSCC1)c1ccsn1.
What is the InChIKey of 2-(thian-4-yl)-1-(1,2-thiazol-3-yl)ethanol?
The InChIKey is XHOIDFSWQBFHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS2/c12-10(9-3-6-14-11-9)7-8-1-4-13-5-2-8/h3,6,8,10,12H,1-2,4-5,7H2.
What are the key properties of 2-(thian-4-yl)-1-(1,2-thiazol-3-yl)ethanol?
2-(thian-4-yl)-1-(1,2-thiazol-3-yl)ethanol has a molecular weight of 229.37 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thian-4-yl)-1-(1,2-thiazol-3-yl)ethanol is sourced from PubChem (CID 130637260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).