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

C18H14F3N5OS — CID 142621228

IUPAC(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanol
SMILESOC(c1cn(-c2ccccc2C(F)(F)F)nn1)c1c(C2CC2)sc2cncn12
InChIInChI=1S/C18H14F3N5OS/c19-18(20,21)11-3-1-2-4-13(11)26-8-12(23-24-26)16(27)15-17(10-5-6-10)28-14-7-22-9-25(14)15/h1-4,7-10,16,27H,5-6H2
InChIKeyCLQVAKMEDGQZIY-UHFFFAOYSA-N
MW405.41 g/mol
LogP3.95
Rot. Bonds4

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

(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanol (PubChem CID 142621228) has the molecular formula C18H14F3N5OS and a molecular weight of 405.41 g/mol. Its IUPAC name is (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanol
PubChem CID142621228
Molecular FormulaC18H14F3N5OS
Molecular Weight405.41 g/mol
Exact Mass405.09
IUPAC Name(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanol
SMILESOC(c1cn(-c2ccccc2C(F)(F)F)nn1)c1c(C2CC2)sc2cncn12
InChIInChI=1S/C18H14F3N5OS/c19-18(20,21)11-3-1-2-4-13(11)26-8-12(23-24-26)16(27)15-17(10-5-6-10)28-14-7-22-9-25(14)15/h1-4,7-10,16,27H,5-6H2
InChIKeyCLQVAKMEDGQZIY-UHFFFAOYSA-N
XLogP3.95
TPSA68.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanol?
The IUPAC name of (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanol (CID 142621228) is (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanol.
What is the SMILES notation for (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanol?
The canonical SMILES for (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanol is OC(c1cn(-c2ccccc2C(F)(F)F)nn1)c1c(C2CC2)sc2cncn12.
What is the InChIKey of (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanol?
The InChIKey is CLQVAKMEDGQZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N5OS/c19-18(20,21)11-3-1-2-4-13(11)26-8-12(23-24-26)16(27)15-17(10-5-6-10)28-14-7-22-9-25(14)15/h1-4,7-10,16,27H,5-6H2.
What are the key properties of (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanol?
(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanol has a molecular weight of 405.41 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanol is sourced from PubChem (CID 142621228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).