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

C16H19F3N2OS — CID 151320595

IUPAC(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanol
SMILESOC(c1c(C2CC2)sc2cncn12)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C16H19F3N2OS/c17-16(18,19)11-5-3-9(4-6-11)14(22)13-15(10-1-2-10)23-12-7-20-8-21(12)13/h7-11,14,22H,1-6H2
InChIKeyOGJIUQZGECSYFP-UHFFFAOYSA-N
MW344.40 g/mol
LogP4.68
Rot. Bonds3

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

(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanol (PubChem CID 151320595) has the molecular formula C16H19F3N2OS and a molecular weight of 344.40 g/mol. Its IUPAC name is (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanol.

Molecular Properties

Compound Name(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanol
PubChem CID151320595
Molecular FormulaC16H19F3N2OS
Molecular Weight344.40 g/mol
Exact Mass344.12
IUPAC Name(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanol
SMILESOC(c1c(C2CC2)sc2cncn12)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C16H19F3N2OS/c17-16(18,19)11-5-3-9(4-6-11)14(22)13-15(10-1-2-10)23-12-7-20-8-21(12)13/h7-11,14,22H,1-6H2
InChIKeyOGJIUQZGECSYFP-UHFFFAOYSA-N
XLogP4.68
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

US11267824, Example 21
CID 137499559
US11267824, Example 42
CID 137499645
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

Frequently Asked Questions

What is the IUPAC name of (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanol?
The IUPAC name of (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanol (CID 151320595) is (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanol.
What is the SMILES notation for (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanol?
The canonical SMILES for (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanol is OC(c1c(C2CC2)sc2cncn12)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanol?
The InChIKey is OGJIUQZGECSYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2OS/c17-16(18,19)11-5-3-9(4-6-11)14(22)13-15(10-1-2-10)23-12-7-20-8-21(12)13/h7-11,14,22H,1-6H2.
What are the key properties of (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanol?
(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanol has a molecular weight of 344.40 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanol is sourced from PubChem (CID 151320595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).