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

C16H19F3N2OS — CID 152639939

IUPAC(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[3-(trifluoromethyl)cyclohexyl]methanol
SMILESOC(c1c(C2CC2)sc2cncn12)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C16H19F3N2OS/c17-16(18,19)11-3-1-2-10(6-11)14(22)13-15(9-4-5-9)23-12-7-20-8-21(12)13/h7-11,14,22H,1-6H2
InChIKeyZFIIVXXXFKUMSO-UHFFFAOYSA-N
MW344.40 g/mol
LogP4.68
Rot. Bonds3

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

(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[3-(trifluoromethyl)cyclohexyl]methanol (PubChem CID 152639939) 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)-[3-(trifluoromethyl)cyclohexyl]methanol.

Molecular Properties

Compound Name(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[3-(trifluoromethyl)cyclohexyl]methanol
PubChem CID152639939
Molecular FormulaC16H19F3N2OS
Molecular Weight344.40 g/mol
Exact Mass344.12
IUPAC Name(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[3-(trifluoromethyl)cyclohexyl]methanol
SMILESOC(c1c(C2CC2)sc2cncn12)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C16H19F3N2OS/c17-16(18,19)11-3-1-2-10(6-11)14(22)13-15(9-4-5-9)23-12-7-20-8-21(12)13/h7-11,14,22H,1-6H2
InChIKeyZFIIVXXXFKUMSO-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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Frequently Asked Questions

What is the IUPAC name of (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[3-(trifluoromethyl)cyclohexyl]methanol?
The IUPAC name of (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[3-(trifluoromethyl)cyclohexyl]methanol (CID 152639939) is (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[3-(trifluoromethyl)cyclohexyl]methanol.
What is the SMILES notation for (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[3-(trifluoromethyl)cyclohexyl]methanol?
The canonical SMILES for (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[3-(trifluoromethyl)cyclohexyl]methanol is OC(c1c(C2CC2)sc2cncn12)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[3-(trifluoromethyl)cyclohexyl]methanol?
The InChIKey is ZFIIVXXXFKUMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2OS/c17-16(18,19)11-3-1-2-10(6-11)14(22)13-15(9-4-5-9)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)-[3-(trifluoromethyl)cyclohexyl]methanol?
(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[3-(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)-[3-(trifluoromethyl)cyclohexyl]methanol is sourced from PubChem (CID 152639939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).