1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-2-(2-methylphenyl)ethanol

C17H18N2OS — CID 137499566

IUPAC1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-2-(2-methylphenyl)ethanol
SMILESCc1ccccc1CC(O)c1c(C2CC2)sc2cncn12
InChIInChI=1S/C17H18N2OS/c1-11-4-2-3-5-13(11)8-14(20)16-17(12-6-7-12)21-15-9-18-10-19(15)16/h2-5,9-10,12,14,20H,6-8H2,1H3
InChIKeyWKDBQKZUIUUMLE-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.86
Rot. Bonds4

About 1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-2-(2-methylphenyl)ethanol

1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-2-(2-methylphenyl)ethanol (PubChem CID 137499566) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-2-(2-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-2-(2-methylphenyl)ethanol
PubChem CID137499566
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-2-(2-methylphenyl)ethanol
SMILESCc1ccccc1CC(O)c1c(C2CC2)sc2cncn12
InChIInChI=1S/C17H18N2OS/c1-11-4-2-3-5-13(11)8-14(20)16-17(12-6-7-12)21-15-9-18-10-19(15)16/h2-5,9-10,12,14,20H,6-8H2,1H3
InChIKeyWKDBQKZUIUUMLE-UHFFFAOYSA-N
XLogP3.86
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-2-(2-methylphenyl)ethanol?
The IUPAC name of 1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-2-(2-methylphenyl)ethanol (CID 137499566) is 1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-2-(2-methylphenyl)ethanol.
What is the SMILES notation for 1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-2-(2-methylphenyl)ethanol?
The canonical SMILES for 1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-2-(2-methylphenyl)ethanol is Cc1ccccc1CC(O)c1c(C2CC2)sc2cncn12.
What is the InChIKey of 1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-2-(2-methylphenyl)ethanol?
The InChIKey is WKDBQKZUIUUMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-11-4-2-3-5-13(11)8-14(20)16-17(12-6-7-12)21-15-9-18-10-19(15)16/h2-5,9-10,12,14,20H,6-8H2,1H3.
What are the key properties of 1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-2-(2-methylphenyl)ethanol?
1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-2-(2-methylphenyl)ethanol has a molecular weight of 298.41 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-2-(2-methylphenyl)ethanol is sourced from PubChem (CID 137499566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).