2-(2-methyl-1H-imidazol-5-yl)-1-(1,3-thiazol-2-yl)ethanol

C9H11N3OS — CID 70299164

IUPAC2-(2-methyl-1H-imidazol-5-yl)-1-(1,3-thiazol-2-yl)ethanol
SMILESCc1ncc(CC(O)c2nccs2)[nH]1
InChIInChI=1S/C9H11N3OS/c1-6-11-5-7(12-6)4-8(13)9-10-2-3-14-9/h2-3,5,8,13H,4H2,1H3,(H,11,12)
InChIKeySZBAYNMRDSBFCN-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.45
Rot. Bonds3

About 2-(2-methyl-1H-imidazol-5-yl)-1-(1,3-thiazol-2-yl)ethanol

2-(2-methyl-1H-imidazol-5-yl)-1-(1,3-thiazol-2-yl)ethanol (PubChem CID 70299164) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is 2-(2-methyl-1H-imidazol-5-yl)-1-(1,3-thiazol-2-yl)ethanol.

Molecular Properties

Compound Name2-(2-methyl-1H-imidazol-5-yl)-1-(1,3-thiazol-2-yl)ethanol
PubChem CID70299164
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC Name2-(2-methyl-1H-imidazol-5-yl)-1-(1,3-thiazol-2-yl)ethanol
SMILESCc1ncc(CC(O)c2nccs2)[nH]1
InChIInChI=1S/C9H11N3OS/c1-6-11-5-7(12-6)4-8(13)9-10-2-3-14-9/h2-3,5,8,13H,4H2,1H3,(H,11,12)
InChIKeySZBAYNMRDSBFCN-UHFFFAOYSA-N
XLogP1.45
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1H-imidazol-5-yl)-1-(1,3-thiazol-2-yl)ethanol?
The IUPAC name of 2-(2-methyl-1H-imidazol-5-yl)-1-(1,3-thiazol-2-yl)ethanol (CID 70299164) is 2-(2-methyl-1H-imidazol-5-yl)-1-(1,3-thiazol-2-yl)ethanol.
What is the SMILES notation for 2-(2-methyl-1H-imidazol-5-yl)-1-(1,3-thiazol-2-yl)ethanol?
The canonical SMILES for 2-(2-methyl-1H-imidazol-5-yl)-1-(1,3-thiazol-2-yl)ethanol is Cc1ncc(CC(O)c2nccs2)[nH]1.
What is the InChIKey of 2-(2-methyl-1H-imidazol-5-yl)-1-(1,3-thiazol-2-yl)ethanol?
The InChIKey is SZBAYNMRDSBFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS/c1-6-11-5-7(12-6)4-8(13)9-10-2-3-14-9/h2-3,5,8,13H,4H2,1H3,(H,11,12).
What are the key properties of 2-(2-methyl-1H-imidazol-5-yl)-1-(1,3-thiazol-2-yl)ethanol?
2-(2-methyl-1H-imidazol-5-yl)-1-(1,3-thiazol-2-yl)ethanol has a molecular weight of 209.27 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1H-imidazol-5-yl)-1-(1,3-thiazol-2-yl)ethanol is sourced from PubChem (CID 70299164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).