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

C16H22N2OS — CID 137499592

IUPAC(1S)-2-cyclohexyl-1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)ethanol
SMILESO[C@@H](CC1CCCCC1)c1c(C2CC2)sc2cncn12
InChIInChI=1S/C16H22N2OS/c19-13(8-11-4-2-1-3-5-11)15-16(12-6-7-12)20-14-9-17-10-18(14)15/h9-13,19H,1-8H2/t13-/m0/s1
InChIKeyAEMVYCHLYDWVGY-ZDUSSCGKSA-N
MW290.43 g/mol
LogP4.28
Rot. Bonds4

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

(1S)-2-cyclohexyl-1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)ethanol (PubChem CID 137499592) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is (1S)-2-cyclohexyl-1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)ethanol.

Molecular Properties

Compound Name(1S)-2-cyclohexyl-1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)ethanol
PubChem CID137499592
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name(1S)-2-cyclohexyl-1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)ethanol
SMILESO[C@@H](CC1CCCCC1)c1c(C2CC2)sc2cncn12
InChIInChI=1S/C16H22N2OS/c19-13(8-11-4-2-1-3-5-11)15-16(12-6-7-12)20-14-9-17-10-18(14)15/h9-13,19H,1-8H2/t13-/m0/s1
InChIKeyAEMVYCHLYDWVGY-ZDUSSCGKSA-N
XLogP4.28
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-cyclohexyl-1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)ethanol?
The IUPAC name of (1S)-2-cyclohexyl-1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)ethanol (CID 137499592) is (1S)-2-cyclohexyl-1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)ethanol.
What is the SMILES notation for (1S)-2-cyclohexyl-1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)ethanol?
The canonical SMILES for (1S)-2-cyclohexyl-1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)ethanol is O[C@@H](CC1CCCCC1)c1c(C2CC2)sc2cncn12.
What is the InChIKey of (1S)-2-cyclohexyl-1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)ethanol?
The InChIKey is AEMVYCHLYDWVGY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22N2OS/c19-13(8-11-4-2-1-3-5-11)15-16(12-6-7-12)20-14-9-17-10-18(14)15/h9-13,19H,1-8H2/t13-/m0/s1.
What are the key properties of (1S)-2-cyclohexyl-1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)ethanol?
(1S)-2-cyclohexyl-1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)ethanol has a molecular weight of 290.43 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-cyclohexyl-1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)ethanol is sourced from PubChem (CID 137499592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).