3-methyl-5-[(1R,5S)-8-[[5-(trifluoromethyl)-8-[[1-(trifluoromethyl)cyclopropyl]methoxy]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-3-azabicyclo[3.2.1]octan-3-yl]-1,2-thiazole

C24H25F6N5OS — CID 146961282

IUPAC3-methyl-5-[(1R,5S)-8-[[5-(trifluoromethyl)-8-[[1-(trifluoromethyl)cyclopropyl]methoxy]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-3-azabicyclo[3.2.1]octan-3-yl]-1,2-thiazole
SMILESCc1cc(N2C[C@H]3CC[C@@H](C2)C3Cc2nc3c(OCC4(C(F)(F)F)CC4)ccc(C(F)(F)F)n3n2)sn1
InChIInChI=1S/C24H25F6N5OS/c1-13-8-20(37-33-13)34-10-14-2-3-15(11-34)16(14)9-19-31-21-17(36-12-22(6-7-22)24(28,29)30)4-5-18(23(25,26)27)35(21)32-19/h4-5,8,14-16H,2-3,6-7,9-12H2,1H3/t14-,15+,16?
InChIKeyAKQAOBIIZYTVFF-XYPWUTKMSA-N
MW545.55 g/mol
LogP5.94
Rot. Bonds6

About 3-methyl-5-[(1R,5S)-8-[[5-(trifluoromethyl)-8-[[1-(trifluoromethyl)cyclopropyl]methoxy]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-3-azabicyclo[3.2.1]octan-3-yl]-1,2-thiazole

3-methyl-5-[(1R,5S)-8-[[5-(trifluoromethyl)-8-[[1-(trifluoromethyl)cyclopropyl]methoxy]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-3-azabicyclo[3.2.1]octan-3-yl]-1,2-thiazole (PubChem CID 146961282) has the molecular formula C24H25F6N5OS and a molecular weight of 545.55 g/mol. Its IUPAC name is 3-methyl-5-[(1R,5S)-8-[[5-(trifluoromethyl)-8-[[1-(trifluoromethyl)cyclopropyl]methoxy]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-3-azabicyclo[3.2.1]octan-3-yl]-1,2-thiazole.

Molecular Properties

Compound Name3-methyl-5-[(1R,5S)-8-[[5-(trifluoromethyl)-8-[[1-(trifluoromethyl)cyclopropyl]methoxy]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-3-azabicyclo[3.2.1]octan-3-yl]-1,2-thiazole
PubChem CID146961282
Molecular FormulaC24H25F6N5OS
Molecular Weight545.55 g/mol
Exact Mass545.17
IUPAC Name3-methyl-5-[(1R,5S)-8-[[5-(trifluoromethyl)-8-[[1-(trifluoromethyl)cyclopropyl]methoxy]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-3-azabicyclo[3.2.1]octan-3-yl]-1,2-thiazole
SMILESCc1cc(N2C[C@H]3CC[C@@H](C2)C3Cc2nc3c(OCC4(C(F)(F)F)CC4)ccc(C(F)(F)F)n3n2)sn1
InChIInChI=1S/C24H25F6N5OS/c1-13-8-20(37-33-13)34-10-14-2-3-15(11-34)16(14)9-19-31-21-17(36-12-22(6-7-22)24(28,29)30)4-5-18(23(25,26)27)35(21)32-19/h4-5,8,14-16H,2-3,6-7,9-12H2,1H3/t14-,15+,16?
InChIKeyAKQAOBIIZYTVFF-XYPWUTKMSA-N
XLogP5.94
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.55
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-methyl-5-[(1R,5S)-8-[[5-(trifluoromethyl)-8-[[1-(trifluoromethyl)cyclopropyl]methoxy]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-3-azabicyclo[3.2.1]octan-3-yl]-1,2-thiazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(1R,5S)-8-[[5-(trifluoromethyl)-8-[[1-(trifluoromethyl)cyclopropyl]methoxy]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-3-azabicyclo[3.2.1]octan-3-yl]-1,2-thiazole?
The IUPAC name of 3-methyl-5-[(1R,5S)-8-[[5-(trifluoromethyl)-8-[[1-(trifluoromethyl)cyclopropyl]methoxy]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-3-azabicyclo[3.2.1]octan-3-yl]-1,2-thiazole (CID 146961282) is 3-methyl-5-[(1R,5S)-8-[[5-(trifluoromethyl)-8-[[1-(trifluoromethyl)cyclopropyl]methoxy]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-3-azabicyclo[3.2.1]octan-3-yl]-1,2-thiazole.
What is the SMILES notation for 3-methyl-5-[(1R,5S)-8-[[5-(trifluoromethyl)-8-[[1-(trifluoromethyl)cyclopropyl]methoxy]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-3-azabicyclo[3.2.1]octan-3-yl]-1,2-thiazole?
The canonical SMILES for 3-methyl-5-[(1R,5S)-8-[[5-(trifluoromethyl)-8-[[1-(trifluoromethyl)cyclopropyl]methoxy]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-3-azabicyclo[3.2.1]octan-3-yl]-1,2-thiazole is Cc1cc(N2C[C@H]3CC[C@@H](C2)C3Cc2nc3c(OCC4(C(F)(F)F)CC4)ccc(C(F)(F)F)n3n2)sn1.
What is the InChIKey of 3-methyl-5-[(1R,5S)-8-[[5-(trifluoromethyl)-8-[[1-(trifluoromethyl)cyclopropyl]methoxy]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-3-azabicyclo[3.2.1]octan-3-yl]-1,2-thiazole?
The InChIKey is AKQAOBIIZYTVFF-XYPWUTKMSA-N. The full InChI is InChI=1S/C24H25F6N5OS/c1-13-8-20(37-33-13)34-10-14-2-3-15(11-34)16(14)9-19-31-21-17(36-12-22(6-7-22)24(28,29)30)4-5-18(23(25,26)27)35(21)32-19/h4-5,8,14-16H,2-3,6-7,9-12H2,1H3/t14-,15+,16?.
What are the key properties of 3-methyl-5-[(1R,5S)-8-[[5-(trifluoromethyl)-8-[[1-(trifluoromethyl)cyclopropyl]methoxy]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-3-azabicyclo[3.2.1]octan-3-yl]-1,2-thiazole?
3-methyl-5-[(1R,5S)-8-[[5-(trifluoromethyl)-8-[[1-(trifluoromethyl)cyclopropyl]methoxy]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-3-azabicyclo[3.2.1]octan-3-yl]-1,2-thiazole has a molecular weight of 545.55 g/mol, XLogP of 5.94, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(1R,5S)-8-[[5-(trifluoromethyl)-8-[[1-(trifluoromethyl)cyclopropyl]methoxy]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-3-azabicyclo[3.2.1]octan-3-yl]-1,2-thiazole is sourced from PubChem (CID 146961282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).