2-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]ethanol

C11H13NO2S — CID 116885384

IUPAC2-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]ethanol
SMILESCc1ccc(-c2nc(C)c(CCO)s2)o1
InChIInChI=1S/C11H13NO2S/c1-7-3-4-9(14-7)11-12-8(2)10(15-11)5-6-13/h3-4,13H,5-6H2,1-2H3
InChIKeyJUCWWULIRYBGKX-UHFFFAOYSA-N
MW223.30 g/mol
LogP2.55
Rot. Bonds3

About 2-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]ethanol

2-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]ethanol (PubChem CID 116885384) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is 2-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name2-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]ethanol
PubChem CID116885384
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC Name2-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]ethanol
SMILESCc1ccc(-c2nc(C)c(CCO)s2)o1
InChIInChI=1S/C11H13NO2S/c1-7-3-4-9(14-7)11-12-8(2)10(15-11)5-6-13/h3-4,13H,5-6H2,1-2H3
InChIKeyJUCWWULIRYBGKX-UHFFFAOYSA-N
XLogP2.55
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]butanoic acid
CID 116885461
N-methyl-1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methanamine
CID 116868204
1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]propan-2-amine
CID 116884656
methyl 2-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]acetate
CID 116886343
[1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]cyclobutyl]methanol
CID 116887023
5-methoxy-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole
CID 116887586
2-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanol
CID 82093697
2-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]butanenitrile
CID 116887313
2-methyl-2-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]propanoic acid
CID 116885480
N-methyl-1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]ethanamine
CID 61282283
4-methyl-N-[2-(methylamino)ethyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119503082
N-[1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 61283071

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 2-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]ethanol (CID 116885384) is 2-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 2-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 2-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]ethanol is Cc1ccc(-c2nc(C)c(CCO)s2)o1.
What is the InChIKey of 2-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]ethanol?
The InChIKey is JUCWWULIRYBGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S/c1-7-3-4-9(14-7)11-12-8(2)10(15-11)5-6-13/h3-4,13H,5-6H2,1-2H3.
What are the key properties of 2-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]ethanol?
2-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]ethanol has a molecular weight of 223.30 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 116885384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).