2-(5-ethylthiophen-2-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol

C12H15NOS2 — CID 105087638

IUPAC2-(5-ethylthiophen-2-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol
SMILESCCc1ccc(CC(O)c2scnc2C)s1
InChIInChI=1S/C12H15NOS2/c1-3-9-4-5-10(16-9)6-11(14)12-8(2)13-7-15-12/h4-5,7,11,14H,3,6H2,1-2H3
InChIKeyVDEYOOQYHQBPCU-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.35
Rot. Bonds4

About 2-(5-ethylthiophen-2-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol

2-(5-ethylthiophen-2-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol (PubChem CID 105087638) has the molecular formula C12H15NOS2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-(5-ethylthiophen-2-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(5-ethylthiophen-2-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol
PubChem CID105087638
Molecular FormulaC12H15NOS2
Molecular Weight253.39 g/mol
Exact Mass253.06
IUPAC Name2-(5-ethylthiophen-2-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol
SMILESCCc1ccc(CC(O)c2scnc2C)s1
InChIInChI=1S/C12H15NOS2/c1-3-9-4-5-10(16-9)6-11(14)12-8(2)13-7-15-12/h4-5,7,11,14H,3,6H2,1-2H3
InChIKeyVDEYOOQYHQBPCU-UHFFFAOYSA-N
XLogP3.35
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-2-chloro-1-(4-methyl-1,3-thiazol-5-yl)ethanol
CID 101008965
2-(4-chloro-2-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol
CID 105132939
1-(4-methyl-1,3-thiazol-5-yl)nonan-1-ol
CID 105085734
2-(2-chloro-3-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol
CID 105124092
5-methyl-1-(4-methyl-1,3-thiazol-5-yl)hexan-1-ol
CID 105122728
1-(1,5-dimethylpyrazol-4-yl)-2-(5-ethylthiophen-2-yl)ethanol
CID 79583541
2-(5-ethylthiophen-2-yl)-1-(1-methylimidazol-4-yl)ethanol
CID 107978250
2-(5-chlorothiophen-2-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 105135057
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol
CID 105107414
1-(2,3-dimethylphenyl)-2-(5-ethylthiophen-2-yl)ethanol
CID 65148352
2-(5-ethylthiophen-2-yl)-1-(1H-pyrazol-4-yl)ethanol
CID 165472767
1-(5-chlorofuran-2-yl)-2-(5-ethylthiophen-2-yl)ethanol
CID 106693642

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylthiophen-2-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol?
The IUPAC name of 2-(5-ethylthiophen-2-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol (CID 105087638) is 2-(5-ethylthiophen-2-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol.
What is the SMILES notation for 2-(5-ethylthiophen-2-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol?
The canonical SMILES for 2-(5-ethylthiophen-2-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol is CCc1ccc(CC(O)c2scnc2C)s1.
What is the InChIKey of 2-(5-ethylthiophen-2-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol?
The InChIKey is VDEYOOQYHQBPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS2/c1-3-9-4-5-10(16-9)6-11(14)12-8(2)13-7-15-12/h4-5,7,11,14H,3,6H2,1-2H3.
What are the key properties of 2-(5-ethylthiophen-2-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol?
2-(5-ethylthiophen-2-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol has a molecular weight of 253.39 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylthiophen-2-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol is sourced from PubChem (CID 105087638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).