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

C18H14F3N5OS — CID 142621459

IUPAC(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanol
SMILESOC(c1cn(-c2cccc(C(F)(F)F)c2)nn1)c1c(C2CC2)sc2cncn12
InChIInChI=1S/C18H14F3N5OS/c19-18(20,21)11-2-1-3-12(6-11)26-8-13(23-24-26)16(27)15-17(10-4-5-10)28-14-7-22-9-25(14)15/h1-3,6-10,16,27H,4-5H2
InChIKeyQXSPKVVIFNYDHX-UHFFFAOYSA-N
MW405.41 g/mol
LogP3.95
Rot. Bonds4

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

(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanol (PubChem CID 142621459) 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-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanol
PubChem CID142621459
Molecular FormulaC18H14F3N5OS
Molecular Weight405.41 g/mol
Exact Mass405.09
IUPAC Name(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanol
SMILESOC(c1cn(-c2cccc(C(F)(F)F)c2)nn1)c1c(C2CC2)sc2cncn12
InChIInChI=1S/C18H14F3N5OS/c19-18(20,21)11-2-1-3-12(6-11)26-8-13(23-24-26)16(27)15-17(10-4-5-10)28-14-7-22-9-25(14)15/h1-3,6-10,16,27H,4-5H2
InChIKeyQXSPKVVIFNYDHX-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US11267824, Example 143
CID 149905450
US11267824, Example 182
CID 150923093
US11267824, Example 163
CID 151030330
US11267824, Example 145
CID 151109135
US11267824, Example 112
CID 152045876
US11267824, Example 181
CID 152187490
US11267824, Example 144
CID 152242725
US11267824, Example 159
CID 152650725
US11267824, Example 52
CID 137499577
US11267824, Example 54
CID 137499621
US11267824, Example 59
CID 137499633
US11267824, Example 50a
CID 137499653

Frequently Asked Questions

What is the IUPAC name of (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanol?
The IUPAC name of (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanol (CID 142621459) is (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanol.
What is the SMILES notation for (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanol?
The canonical SMILES for (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanol is OC(c1cn(-c2cccc(C(F)(F)F)c2)nn1)c1c(C2CC2)sc2cncn12.
What is the InChIKey of (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanol?
The InChIKey is QXSPKVVIFNYDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N5OS/c19-18(20,21)11-2-1-3-12(6-11)26-8-13(23-24-26)16(27)15-17(10-4-5-10)28-14-7-22-9-25(14)15/h1-3,6-10,16,27H,4-5H2.
What are the key properties of (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanol?
(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-[3-(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-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanol is sourced from PubChem (CID 142621459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).