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

C17H21F3N2OS — CID 137499645

IUPAC1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-2-[4-(trifluoromethyl)cyclohexyl]ethanol
SMILESOC(CC1CCC(C(F)(F)F)CC1)c1c(C2CC2)sc2cncn12
InChIInChI=1S/C17H21F3N2OS/c18-17(19,20)12-5-1-10(2-6-12)7-13(23)15-16(11-3-4-11)24-14-8-21-9-22(14)15/h8-13,23H,1-7H2
InChIKeyKBOBONVCZUDPCO-UHFFFAOYSA-N
MW358.43 g/mol
LogP5.07
Rot. Bonds4

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

1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-2-[4-(trifluoromethyl)cyclohexyl]ethanol (PubChem CID 137499645) has the molecular formula C17H21F3N2OS and a molecular weight of 358.43 g/mol. Its IUPAC name is 1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-2-[4-(trifluoromethyl)cyclohexyl]ethanol.

Molecular Properties

Compound Name1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-2-[4-(trifluoromethyl)cyclohexyl]ethanol
PubChem CID137499645
Molecular FormulaC17H21F3N2OS
Molecular Weight358.43 g/mol
Exact Mass358.13
IUPAC Name1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-2-[4-(trifluoromethyl)cyclohexyl]ethanol
SMILESOC(CC1CCC(C(F)(F)F)CC1)c1c(C2CC2)sc2cncn12
InChIInChI=1S/C17H21F3N2OS/c18-17(19,20)12-5-1-10(2-6-12)7-13(23)15-16(11-3-4-11)24-14-8-21-9-22(14)15/h8-13,23H,1-7H2
InChIKeyKBOBONVCZUDPCO-UHFFFAOYSA-N
XLogP5.07
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.43
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

US11267824, Example 21
CID 137499559
US11267824, Example 64
CID 137499694
US11267824, Example 63
CID 137500094
US11267824, Example 116
CID 137500138
US11267824, Example 137
CID 137500149
US11267824, Example 115
CID 137500154
US11267824, Example 119
CID 137500167
US11267824, Example 108
CID 137500177
US11267824, Example 155
CID 137500250
US11267824, Example 187
CID 149681008
US11267824, Example 186
CID 149681009
US11267824, Example 102
CID 149689411

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-2-[4-(trifluoromethyl)cyclohexyl]ethanol?
The IUPAC name of 1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-2-[4-(trifluoromethyl)cyclohexyl]ethanol (CID 137499645) is 1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-2-[4-(trifluoromethyl)cyclohexyl]ethanol.
What is the SMILES notation for 1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-2-[4-(trifluoromethyl)cyclohexyl]ethanol?
The canonical SMILES for 1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-2-[4-(trifluoromethyl)cyclohexyl]ethanol is OC(CC1CCC(C(F)(F)F)CC1)c1c(C2CC2)sc2cncn12.
What is the InChIKey of 1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-2-[4-(trifluoromethyl)cyclohexyl]ethanol?
The InChIKey is KBOBONVCZUDPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2OS/c18-17(19,20)12-5-1-10(2-6-12)7-13(23)15-16(11-3-4-11)24-14-8-21-9-22(14)15/h8-13,23H,1-7H2.
What are the key properties of 1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-2-[4-(trifluoromethyl)cyclohexyl]ethanol?
1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-2-[4-(trifluoromethyl)cyclohexyl]ethanol has a molecular weight of 358.43 g/mol, XLogP of 5.07, 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-[4-(trifluoromethyl)cyclohexyl]ethanol is sourced from PubChem (CID 137499645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).