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

C16H20F2N2OS — CID 151502298

IUPAC1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-2-(3,3-difluorocyclohexyl)ethanol
SMILESOC(CC1CCCC(F)(F)C1)c1c(C2CC2)sc2cncn12
InChIInChI=1S/C16H20F2N2OS/c17-16(18)5-1-2-10(7-16)6-12(21)14-15(11-3-4-11)22-13-8-19-9-20(13)14/h8-12,21H,1-7H2
InChIKeyPQRJKBKYQUYNBS-UHFFFAOYSA-N
MW326.41 g/mol
LogP4.52
Rot. Bonds4

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

1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-2-(3,3-difluorocyclohexyl)ethanol (PubChem CID 151502298) has the molecular formula C16H20F2N2OS and a molecular weight of 326.41 g/mol. Its IUPAC name is 1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-2-(3,3-difluorocyclohexyl)ethanol.

Molecular Properties

Compound Name1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-2-(3,3-difluorocyclohexyl)ethanol
PubChem CID151502298
Molecular FormulaC16H20F2N2OS
Molecular Weight326.41 g/mol
Exact Mass326.13
IUPAC Name1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-2-(3,3-difluorocyclohexyl)ethanol
SMILESOC(CC1CCCC(F)(F)C1)c1c(C2CC2)sc2cncn12
InChIInChI=1S/C16H20F2N2OS/c17-16(18)5-1-2-10(7-16)6-12(21)14-15(11-3-4-11)22-13-8-19-9-20(13)14/h8-12,21H,1-7H2
InChIKeyPQRJKBKYQUYNBS-UHFFFAOYSA-N
XLogP4.52
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.41
LogP ≤ 54.52
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-(3,3-difluorocyclohexyl)ethanol?
The IUPAC name of 1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-2-(3,3-difluorocyclohexyl)ethanol (CID 151502298) is 1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-2-(3,3-difluorocyclohexyl)ethanol.
What is the SMILES notation for 1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-2-(3,3-difluorocyclohexyl)ethanol?
The canonical SMILES for 1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-2-(3,3-difluorocyclohexyl)ethanol is OC(CC1CCCC(F)(F)C1)c1c(C2CC2)sc2cncn12.
What is the InChIKey of 1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-2-(3,3-difluorocyclohexyl)ethanol?
The InChIKey is PQRJKBKYQUYNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2OS/c17-16(18)5-1-2-10(7-16)6-12(21)14-15(11-3-4-11)22-13-8-19-9-20(13)14/h8-12,21H,1-7H2.
What are the key properties of 1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-2-(3,3-difluorocyclohexyl)ethanol?
1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-2-(3,3-difluorocyclohexyl)ethanol has a molecular weight of 326.41 g/mol, XLogP of 4.52, 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-(3,3-difluorocyclohexyl)ethanol is sourced from PubChem (CID 151502298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).