(1-ethylimidazol-4-yl)-(1,3-thiazol-4-yl)methanol

C9H11N3OS — CID 130508759

IUPAC(1-ethylimidazol-4-yl)-(1,3-thiazol-4-yl)methanol
SMILESCCn1cnc(C(O)c2cscn2)c1
InChIInChI=1S/C9H11N3OS/c1-2-12-3-7(10-5-12)9(13)8-4-14-6-11-8/h3-6,9,13H,2H2,1H3
InChIKeyRLGFIYFJXLFDQF-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.44
Rot. Bonds3

About (1-ethylimidazol-4-yl)-(1,3-thiazol-4-yl)methanol

(1-ethylimidazol-4-yl)-(1,3-thiazol-4-yl)methanol (PubChem CID 130508759) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is (1-ethylimidazol-4-yl)-(1,3-thiazol-4-yl)methanol.

Molecular Properties

Compound Name(1-ethylimidazol-4-yl)-(1,3-thiazol-4-yl)methanol
PubChem CID130508759
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC Name(1-ethylimidazol-4-yl)-(1,3-thiazol-4-yl)methanol
SMILESCCn1cnc(C(O)c2cscn2)c1
InChIInChI=1S/C9H11N3OS/c1-2-12-3-7(10-5-12)9(13)8-4-14-6-11-8/h3-6,9,13H,2H2,1H3
InChIKeyRLGFIYFJXLFDQF-UHFFFAOYSA-N
XLogP1.44
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-chloro-1-ethylpyrazol-5-yl)-(1,3-thiazol-4-yl)methanol
CID 114638381
1,3-thiazol-4-ylmethanediol
CID 59870088
1-(1-ethylimidazol-4-yl)-2-(4-methylphenyl)ethanol
CID 114272638
(2-ethylfuran-3-yl)-(1,3-thiazol-4-yl)methanol
CID 131020969
phenyl(1,3-thiazol-4-yl)methanol
CID 78923958
1,3-thiazol-4-yl(1H-1,2,4-triazol-5-yl)methanol
CID 130729566
3-(1-ethylimidazol-4-yl)-4-methylpentanoic acid
CID 83885100
(1S)-2,2,2-trifluoro-1-(1,3-thiazol-4-yl)ethanol
CID 131205899
(5-amino-1-methylpyrazol-4-yl)-(1,3-thiazol-4-yl)methanol
CID 130670447
1,3-thiazol-4-yl(thiophen-2-yl)methanol
CID 78923935
2-(1-methyltriazol-4-yl)-1-(1,3-thiazol-4-yl)ethanol
CID 107046422
ethyl (3R)-3-amino-3-(1,3-thiazol-4-yl)propanoate
CID 104862982

Frequently Asked Questions

What is the IUPAC name of (1-ethylimidazol-4-yl)-(1,3-thiazol-4-yl)methanol?
The IUPAC name of (1-ethylimidazol-4-yl)-(1,3-thiazol-4-yl)methanol (CID 130508759) is (1-ethylimidazol-4-yl)-(1,3-thiazol-4-yl)methanol.
What is the SMILES notation for (1-ethylimidazol-4-yl)-(1,3-thiazol-4-yl)methanol?
The canonical SMILES for (1-ethylimidazol-4-yl)-(1,3-thiazol-4-yl)methanol is CCn1cnc(C(O)c2cscn2)c1.
What is the InChIKey of (1-ethylimidazol-4-yl)-(1,3-thiazol-4-yl)methanol?
The InChIKey is RLGFIYFJXLFDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS/c1-2-12-3-7(10-5-12)9(13)8-4-14-6-11-8/h3-6,9,13H,2H2,1H3.
What are the key properties of (1-ethylimidazol-4-yl)-(1,3-thiazol-4-yl)methanol?
(1-ethylimidazol-4-yl)-(1,3-thiazol-4-yl)methanol has a molecular weight of 209.27 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylimidazol-4-yl)-(1,3-thiazol-4-yl)methanol is sourced from PubChem (CID 130508759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).