2-[2-(3-methylimidazol-4-yl)-1,3-thiazol-4-yl]ethanol

C9H11N3OS — CID 130512447

IUPAC2-[2-(3-methylimidazol-4-yl)-1,3-thiazol-4-yl]ethanol
SMILESCn1cncc1-c1nc(CCO)cs1
InChIInChI=1S/C9H11N3OS/c1-12-6-10-4-8(12)9-11-7(2-3-13)5-14-9/h4-6,13H,2-3H2,1H3
InChIKeyUJGNHUKINAUPHR-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.08
Rot. Bonds3

About 2-[2-(3-methylimidazol-4-yl)-1,3-thiazol-4-yl]ethanol

2-[2-(3-methylimidazol-4-yl)-1,3-thiazol-4-yl]ethanol (PubChem CID 130512447) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is 2-[2-(3-methylimidazol-4-yl)-1,3-thiazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[2-(3-methylimidazol-4-yl)-1,3-thiazol-4-yl]ethanol
PubChem CID130512447
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC Name2-[2-(3-methylimidazol-4-yl)-1,3-thiazol-4-yl]ethanol
SMILESCn1cncc1-c1nc(CCO)cs1
InChIInChI=1S/C9H11N3OS/c1-12-6-10-4-8(12)9-11-7(2-3-13)5-14-9/h4-6,13H,2-3H2,1H3
InChIKeyUJGNHUKINAUPHR-UHFFFAOYSA-N
XLogP1.08
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 ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(3-methylimidazol-4-yl)-1,3-thiazol-4-yl]acetic acid
CID 66119112
2-[2-(3-propylimidazol-4-yl)-1,3-thiazol-4-yl]acetic acid
CID 66141275
2-[2-(5-methylthiophen-2-yl)-1,3-thiazol-4-yl]ethanol
CID 115089075
[4-cyclopropyl-2-(3-methylimidazol-4-yl)-1,3-thiazol-5-yl]methanamine
CID 114361794
4-[[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine
CID 82895452
2-(2-ethyl-1,3-thiazol-4-yl)ethanol
CID 55264368
2-[2-(2-methylpyrazol-3-yl)-1,3-thiazol-4-yl]ethanamine
CID 130162444
[2-(3-methylimidazol-4-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362007
[2-(3-methylimidazol-4-yl)pyrimidin-5-yl]methanamine
CID 82902374
3-(3-methylimidazol-4-yl)propan-1-ol
CID 45087839
2-methyl-N-[[2-(3-methylimidazol-4-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114364552
4-(2-chloroethyl)-2-(5-chloro-1-methylimidazol-2-yl)-1,3-thiazole
CID 130512359

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylimidazol-4-yl)-1,3-thiazol-4-yl]ethanol?
The IUPAC name of 2-[2-(3-methylimidazol-4-yl)-1,3-thiazol-4-yl]ethanol (CID 130512447) is 2-[2-(3-methylimidazol-4-yl)-1,3-thiazol-4-yl]ethanol.
What is the SMILES notation for 2-[2-(3-methylimidazol-4-yl)-1,3-thiazol-4-yl]ethanol?
The canonical SMILES for 2-[2-(3-methylimidazol-4-yl)-1,3-thiazol-4-yl]ethanol is Cn1cncc1-c1nc(CCO)cs1.
What is the InChIKey of 2-[2-(3-methylimidazol-4-yl)-1,3-thiazol-4-yl]ethanol?
The InChIKey is UJGNHUKINAUPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS/c1-12-6-10-4-8(12)9-11-7(2-3-13)5-14-9/h4-6,13H,2-3H2,1H3.
What are the key properties of 2-[2-(3-methylimidazol-4-yl)-1,3-thiazol-4-yl]ethanol?
2-[2-(3-methylimidazol-4-yl)-1,3-thiazol-4-yl]ethanol has a molecular weight of 209.27 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylimidazol-4-yl)-1,3-thiazol-4-yl]ethanol is sourced from PubChem (CID 130512447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).