2-(thian-4-yl)-1-(1,2-thiazol-5-yl)ethanol

C10H15NOS2 — CID 130943557

IUPAC2-(thian-4-yl)-1-(1,2-thiazol-5-yl)ethanol
SMILESOC(CC1CCSCC1)c1ccns1
InChIInChI=1S/C10H15NOS2/c12-9(10-1-4-11-14-10)7-8-2-5-13-6-3-8/h1,4,8-9,12H,2-3,5-7H2
InChIKeyWPEFRAHTLNOUDG-UHFFFAOYSA-N
MW229.37 g/mol
LogP2.71
Rot. Bonds3

About 2-(thian-4-yl)-1-(1,2-thiazol-5-yl)ethanol

2-(thian-4-yl)-1-(1,2-thiazol-5-yl)ethanol (PubChem CID 130943557) 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-5-yl)ethanol.

Molecular Properties

Compound Name2-(thian-4-yl)-1-(1,2-thiazol-5-yl)ethanol
PubChem CID130943557
Molecular FormulaC10H15NOS2
Molecular Weight229.37 g/mol
Exact Mass229.06
IUPAC Name2-(thian-4-yl)-1-(1,2-thiazol-5-yl)ethanol
SMILESOC(CC1CCSCC1)c1ccns1
InChIInChI=1S/C10H15NOS2/c12-9(10-1-4-11-14-10)7-8-2-5-13-6-3-8/h1,4,8-9,12H,2-3,5-7H2
InChIKeyWPEFRAHTLNOUDG-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

(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
3-Cyclohexyl-1-(1,2-thiazol-5-yl)propan-1-ol
CID 59949219
2-(Thian-4-yl)-1-(1,2-thiazol-3-yl)ethanol
CID 130637260
(3-Methyl-1,2-thiazol-5-yl)-(thian-3-yl)methanol
CID 130653496
Cyclopentyl(1,2-thiazol-5-yl)methanol
CID 130826273
Thian-3-yl(1,2-thiazol-5-yl)methanol
CID 130871292
(2,2,3,3-Tetramethylcyclopropyl)-(1,2-thiazol-5-yl)methanol
CID 130871295
(2,2-Dimethylcyclopentyl)-(1,2-thiazol-5-yl)methanol
CID 130871296
(1-Methylsulfanylcyclopropyl)-(1,2-thiazol-5-yl)methanol
CID 130900775
(3-Methylcyclohexyl)-(1,2-thiazol-5-yl)methanol
CID 130914162
(2,2-Dimethylcyclopropyl)-(1,2-thiazol-5-yl)methanol
CID 130942687

Frequently Asked Questions

What is the IUPAC name of 2-(thian-4-yl)-1-(1,2-thiazol-5-yl)ethanol?
The IUPAC name of 2-(thian-4-yl)-1-(1,2-thiazol-5-yl)ethanol (CID 130943557) is 2-(thian-4-yl)-1-(1,2-thiazol-5-yl)ethanol.
What is the SMILES notation for 2-(thian-4-yl)-1-(1,2-thiazol-5-yl)ethanol?
The canonical SMILES for 2-(thian-4-yl)-1-(1,2-thiazol-5-yl)ethanol is OC(CC1CCSCC1)c1ccns1.
What is the InChIKey of 2-(thian-4-yl)-1-(1,2-thiazol-5-yl)ethanol?
The InChIKey is WPEFRAHTLNOUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS2/c12-9(10-1-4-11-14-10)7-8-2-5-13-6-3-8/h1,4,8-9,12H,2-3,5-7H2.
What are the key properties of 2-(thian-4-yl)-1-(1,2-thiazol-5-yl)ethanol?
2-(thian-4-yl)-1-(1,2-thiazol-5-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-5-yl)ethanol is sourced from PubChem (CID 130943557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).