1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-2-[4-(difluoromethyl)cyclohexyl]ethanol

C17H22F2N2OS — CID 152610642

IUPAC1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-2-[4-(difluoromethyl)cyclohexyl]ethanol
SMILESOC(CC1CCC(C(F)F)CC1)c1c(C2CC2)sc2cncn12
InChIInChI=1S/C17H22F2N2OS/c18-17(19)12-3-1-10(2-4-12)7-13(22)15-16(11-5-6-11)23-14-8-20-9-21(14)15/h8-13,17,22H,1-7H2
InChIKeyYZLGOHYWYKVXQI-UHFFFAOYSA-N
MW340.44 g/mol
LogP4.77
Rot. Bonds5

About 1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-2-[4-(difluoromethyl)cyclohexyl]ethanol

1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-2-[4-(difluoromethyl)cyclohexyl]ethanol (PubChem CID 152610642) has the molecular formula C17H22F2N2OS and a molecular weight of 340.44 g/mol. Its IUPAC name is 1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-2-[4-(difluoromethyl)cyclohexyl]ethanol.

Molecular Properties

Compound Name1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-2-[4-(difluoromethyl)cyclohexyl]ethanol
PubChem CID152610642
Molecular FormulaC17H22F2N2OS
Molecular Weight340.44 g/mol
Exact Mass340.14
IUPAC Name1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-2-[4-(difluoromethyl)cyclohexyl]ethanol
SMILESOC(CC1CCC(C(F)F)CC1)c1c(C2CC2)sc2cncn12
InChIInChI=1S/C17H22F2N2OS/c18-17(19)12-3-1-10(2-4-12)7-13(22)15-16(11-5-6-11)23-14-8-20-9-21(14)15/h8-13,17,22H,1-7H2
InChIKeyYZLGOHYWYKVXQI-UHFFFAOYSA-N
XLogP4.77
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 54.77
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-[4-(difluoromethyl)cyclohexyl]ethanol?
The IUPAC name of 1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-2-[4-(difluoromethyl)cyclohexyl]ethanol (CID 152610642) is 1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-2-[4-(difluoromethyl)cyclohexyl]ethanol.
What is the SMILES notation for 1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-2-[4-(difluoromethyl)cyclohexyl]ethanol?
The canonical SMILES for 1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-2-[4-(difluoromethyl)cyclohexyl]ethanol is OC(CC1CCC(C(F)F)CC1)c1c(C2CC2)sc2cncn12.
What is the InChIKey of 1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-2-[4-(difluoromethyl)cyclohexyl]ethanol?
The InChIKey is YZLGOHYWYKVXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N2OS/c18-17(19)12-3-1-10(2-4-12)7-13(22)15-16(11-5-6-11)23-14-8-20-9-21(14)15/h8-13,17,22H,1-7H2.
What are the key properties of 1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-2-[4-(difluoromethyl)cyclohexyl]ethanol?
1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-2-[4-(difluoromethyl)cyclohexyl]ethanol has a molecular weight of 340.44 g/mol, XLogP of 4.77, 5 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-[4-(difluoromethyl)cyclohexyl]ethanol is sourced from PubChem (CID 152610642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).