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

C10H13N3OS — CID 66118412

IUPAC1-(3-methylimidazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
SMILESCc1nc(CC(O)c2cncn2C)cs1
InChIInChI=1S/C10H13N3OS/c1-7-12-8(5-15-7)3-10(14)9-4-11-6-13(9)2/h4-6,10,14H,3H2,1-2H3
InChIKeyGZJLDMQQHSAVPJ-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.46
Rot. Bonds3

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

1-(3-methylimidazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol (PubChem CID 66118412) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is 1-(3-methylimidazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(3-methylimidazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
PubChem CID66118412
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name1-(3-methylimidazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
SMILESCc1nc(CC(O)c2cncn2C)cs1
InChIInChI=1S/C10H13N3OS/c1-7-12-8(5-15-7)3-10(14)9-4-11-6-13(9)2/h4-6,10,14H,3H2,1-2H3
InChIKeyGZJLDMQQHSAVPJ-UHFFFAOYSA-N
XLogP1.46
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylimidazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol?
The IUPAC name of 1-(3-methylimidazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol (CID 66118412) is 1-(3-methylimidazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol.
What is the SMILES notation for 1-(3-methylimidazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol?
The canonical SMILES for 1-(3-methylimidazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol is Cc1nc(CC(O)c2cncn2C)cs1.
What is the InChIKey of 1-(3-methylimidazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol?
The InChIKey is GZJLDMQQHSAVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-7-12-8(5-15-7)3-10(14)9-4-11-6-13(9)2/h4-6,10,14H,3H2,1-2H3.
What are the key properties of 1-(3-methylimidazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol?
1-(3-methylimidazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol has a molecular weight of 223.30 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylimidazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol is sourced from PubChem (CID 66118412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).