(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]triazol-4-yl]methanol

C18H15F3N6O2S — CID 142621387

IUPAC(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]triazol-4-yl]methanol
SMILESOC(c1cn(-c2ccc(OCC(F)(F)F)nc2)nn1)c1c(C2CC2)sc2cncn12
InChIInChI=1S/C18H15F3N6O2S/c19-18(20,21)8-29-13-4-3-11(5-23-13)27-7-12(24-25-27)16(28)15-17(10-1-2-10)30-14-6-22-9-26(14)15/h3-7,9-10,16,28H,1-2,8H2
InChIKeyVOBMZKOPVZHJAA-UHFFFAOYSA-N
MW436.42 g/mol
LogP3.27
Rot. Bonds6

About (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]triazol-4-yl]methanol

(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]triazol-4-yl]methanol (PubChem CID 142621387) has the molecular formula C18H15F3N6O2S and a molecular weight of 436.42 g/mol. Its IUPAC name is (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]triazol-4-yl]methanol
PubChem CID142621387
Molecular FormulaC18H15F3N6O2S
Molecular Weight436.42 g/mol
Exact Mass436.09
IUPAC Name(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]triazol-4-yl]methanol
SMILESOC(c1cn(-c2ccc(OCC(F)(F)F)nc2)nn1)c1c(C2CC2)sc2cncn12
InChIInChI=1S/C18H15F3N6O2S/c19-18(20,21)8-29-13-4-3-11(5-23-13)27-7-12(24-25-27)16(28)15-17(10-1-2-10)30-14-6-22-9-26(14)15/h3-7,9-10,16,28H,1-2,8H2
InChIKeyVOBMZKOPVZHJAA-UHFFFAOYSA-N
XLogP3.27
TPSA90.36 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.42
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]triazol-4-yl]methanol?
The IUPAC name of (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]triazol-4-yl]methanol (CID 142621387) is (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]triazol-4-yl]methanol.
What is the SMILES notation for (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]triazol-4-yl]methanol?
The canonical SMILES for (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]triazol-4-yl]methanol is OC(c1cn(-c2ccc(OCC(F)(F)F)nc2)nn1)c1c(C2CC2)sc2cncn12.
What is the InChIKey of (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]triazol-4-yl]methanol?
The InChIKey is VOBMZKOPVZHJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N6O2S/c19-18(20,21)8-29-13-4-3-11(5-23-13)27-7-12(24-25-27)16(28)15-17(10-1-2-10)30-14-6-22-9-26(14)15/h3-7,9-10,16,28H,1-2,8H2.
What are the key properties of (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]triazol-4-yl]methanol?
(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]triazol-4-yl]methanol has a molecular weight of 436.42 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]triazol-4-yl]methanol is sourced from PubChem (CID 142621387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).