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

C12H12N4OS2 — CID 57057171

IUPAC2-(3-methylimidazol-4-yl)-1,2-bis(1,3-thiazol-2-yl)ethanol
SMILESCn1cncc1C(c1nccs1)C(O)c1nccs1
InChIInChI=1S/C12H12N4OS2/c1-16-7-13-6-8(16)9(11-14-2-4-18-11)10(17)12-15-3-5-19-12/h2-7,9-10,17H,1H3
InChIKeyIDBFVPJUMYFKKK-UHFFFAOYSA-N
MW292.39 g/mol
LogP2.20
Rot. Bonds4

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

2-(3-methylimidazol-4-yl)-1,2-bis(1,3-thiazol-2-yl)ethanol (PubChem CID 57057171) has the molecular formula C12H12N4OS2 and a molecular weight of 292.39 g/mol. Its IUPAC name is 2-(3-methylimidazol-4-yl)-1,2-bis(1,3-thiazol-2-yl)ethanol.

Molecular Properties

Compound Name2-(3-methylimidazol-4-yl)-1,2-bis(1,3-thiazol-2-yl)ethanol
PubChem CID57057171
Molecular FormulaC12H12N4OS2
Molecular Weight292.39 g/mol
Exact Mass292.05
IUPAC Name2-(3-methylimidazol-4-yl)-1,2-bis(1,3-thiazol-2-yl)ethanol
SMILESCn1cncc1C(c1nccs1)C(O)c1nccs1
InChIInChI=1S/C12H12N4OS2/c1-16-7-13-6-8(16)9(11-14-2-4-18-11)10(17)12-15-3-5-19-12/h2-7,9-10,17H,1H3
InChIKeyIDBFVPJUMYFKKK-UHFFFAOYSA-N
XLogP2.20
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3-ethylimidazol-4-yl)-(1,3-thiazol-2-yl)methanamine
CID 66134319
(1S,2S,3R)-2-amino-1-(1,3-thiazol-2-yl)butane-1,3-diol
CID 10607650
(1-methylimidazol-4-yl)-(1,3-thiazol-2-yl)methanol
CID 130508756
1-(1,3-thiazol-2-yl)butane-1,2,4-triol
CID 171871689
(1S)-1-(3-methylimidazol-4-yl)ethanamine
CID 82898137
2-(3-bromothiophen-2-yl)-1-(3-methylimidazol-4-yl)ethanol
CID 66116708
(5-bromo-3-methyltriazol-4-yl)-(1,3-thiazol-2-yl)methanol
CID 106461391
methyl (2R,3R)-2-amino-3-hydroxy-3-(1,3-thiazol-2-yl)propanoate
CID 23243531
N-[(3-ethylimidazol-4-yl)-(1,3-thiazol-2-yl)methyl]ethanamine
CID 66135354
methyl 3,4-dihydroxy-4-(1,3-thiazol-2-yl)butanoate
CID 171894979
(R)-phenyl(1,3-thiazol-2-yl)methanol
CID 10511917
ethane;phenyl(1,3-thiazol-2-yl)methanol;hydrate
CID 142101108

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylimidazol-4-yl)-1,2-bis(1,3-thiazol-2-yl)ethanol?
The IUPAC name of 2-(3-methylimidazol-4-yl)-1,2-bis(1,3-thiazol-2-yl)ethanol (CID 57057171) is 2-(3-methylimidazol-4-yl)-1,2-bis(1,3-thiazol-2-yl)ethanol.
What is the SMILES notation for 2-(3-methylimidazol-4-yl)-1,2-bis(1,3-thiazol-2-yl)ethanol?
The canonical SMILES for 2-(3-methylimidazol-4-yl)-1,2-bis(1,3-thiazol-2-yl)ethanol is Cn1cncc1C(c1nccs1)C(O)c1nccs1.
What is the InChIKey of 2-(3-methylimidazol-4-yl)-1,2-bis(1,3-thiazol-2-yl)ethanol?
The InChIKey is IDBFVPJUMYFKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS2/c1-16-7-13-6-8(16)9(11-14-2-4-18-11)10(17)12-15-3-5-19-12/h2-7,9-10,17H,1H3.
What are the key properties of 2-(3-methylimidazol-4-yl)-1,2-bis(1,3-thiazol-2-yl)ethanol?
2-(3-methylimidazol-4-yl)-1,2-bis(1,3-thiazol-2-yl)ethanol has a molecular weight of 292.39 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylimidazol-4-yl)-1,2-bis(1,3-thiazol-2-yl)ethanol is sourced from PubChem (CID 57057171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).