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

C16H16N2OS — CID 137499633

IUPAC1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-2-phenylethanol
SMILESOC(Cc1ccccc1)c1c(C2CC2)sc2cncn12
InChIInChI=1S/C16H16N2OS/c19-13(8-11-4-2-1-3-5-11)15-16(12-6-7-12)20-14-9-17-10-18(14)15/h1-5,9-10,12-13,19H,6-8H2
InChIKeyLQPZZJZECDWKCW-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.55
Rot. Bonds4

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

1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-2-phenylethanol (PubChem CID 137499633) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-2-phenylethanol.

Molecular Properties

Compound Name1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-2-phenylethanol
PubChem CID137499633
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-2-phenylethanol
SMILESOC(Cc1ccccc1)c1c(C2CC2)sc2cncn12
InChIInChI=1S/C16H16N2OS/c19-13(8-11-4-2-1-3-5-11)15-16(12-6-7-12)20-14-9-17-10-18(14)15/h1-5,9-10,12-13,19H,6-8H2
InChIKeyLQPZZJZECDWKCW-UHFFFAOYSA-N
XLogP3.55
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.55
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-phenylethanol?
The IUPAC name of 1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-2-phenylethanol (CID 137499633) is 1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-2-phenylethanol.
What is the SMILES notation for 1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-2-phenylethanol?
The canonical SMILES for 1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-2-phenylethanol is OC(Cc1ccccc1)c1c(C2CC2)sc2cncn12.
What is the InChIKey of 1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-2-phenylethanol?
The InChIKey is LQPZZJZECDWKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c19-13(8-11-4-2-1-3-5-11)15-16(12-6-7-12)20-14-9-17-10-18(14)15/h1-5,9-10,12-13,19H,6-8H2.
What are the key properties of 1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-2-phenylethanol?
1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-2-phenylethanol has a molecular weight of 284.38 g/mol, XLogP of 3.55, 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-phenylethanol is sourced from PubChem (CID 137499633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).