[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(1R,5S)-3-(2,2,2-trifluoroethoxyimino)-8-azabicyclo[3.2.1]octan-8-yl]methanone

C23H23F3N6O2S2 — CID 134156601

IUPAC[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(1R,5S)-3-(2,2,2-trifluoroethoxyimino)-8-azabicyclo[3.2.1]octan-8-yl]methanone
SMILESCc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4[C@@H]5CC[C@H]4C/C(=N/OCC(F)(F)F)C5)cn3)n2)s1
InChIInChI=1S/C23H23F3N6O2S2/c1-12-20(36-13(2)28-12)18-10-35-22(29-18)30-19-6-3-14(9-27-19)21(33)32-16-4-5-17(32)8-15(7-16)31-34-11-23(24,25)26/h3,6,9-10,16-17H,4-5,7-8,11H2,1-2H3,(H,27,29,30)/b31-15-/t16-,17+/m0/s1
InChIKeyHRPZHVMUTDQPOZ-LPMRMCHTSA-N
MW536.61 g/mol
LogP5.72
Rot. Bonds6

About [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(1R,5S)-3-(2,2,2-trifluoroethoxyimino)-8-azabicyclo[3.2.1]octan-8-yl]methanone

[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(1R,5S)-3-(2,2,2-trifluoroethoxyimino)-8-azabicyclo[3.2.1]octan-8-yl]methanone (PubChem CID 134156601) has the molecular formula C23H23F3N6O2S2 and a molecular weight of 536.61 g/mol. Its IUPAC name is [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(1R,5S)-3-(2,2,2-trifluoroethoxyimino)-8-azabicyclo[3.2.1]octan-8-yl]methanone.

Molecular Properties

Compound Name[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(1R,5S)-3-(2,2,2-trifluoroethoxyimino)-8-azabicyclo[3.2.1]octan-8-yl]methanone
PubChem CID134156601
Molecular FormulaC23H23F3N6O2S2
Molecular Weight536.61 g/mol
Exact Mass536.13
IUPAC Name[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(1R,5S)-3-(2,2,2-trifluoroethoxyimino)-8-azabicyclo[3.2.1]octan-8-yl]methanone
SMILESCc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4[C@@H]5CC[C@H]4C/C(=N/OCC(F)(F)F)C5)cn3)n2)s1
InChIInChI=1S/C23H23F3N6O2S2/c1-12-20(36-13(2)28-12)18-10-35-22(29-18)30-19-6-3-14(9-27-19)21(33)32-16-4-5-17(32)8-15(7-16)31-34-11-23(24,25)26/h3,6,9-10,16-17H,4-5,7-8,11H2,1-2H3,(H,27,29,30)/b31-15-/t16-,17+/m0/s1
InChIKeyHRPZHVMUTDQPOZ-LPMRMCHTSA-N
XLogP5.72
TPSA92.60 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.61
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(1R,5S)-3-(2,2,2-trifluoroethoxyimino)-8-azabicyclo[3.2.1]octan-8-yl]methanone 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 [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(1R,5S)-3-(2,2,2-trifluoroethoxyimino)-8-azabicyclo[3.2.1]octan-8-yl]methanone?
The IUPAC name of [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(1R,5S)-3-(2,2,2-trifluoroethoxyimino)-8-azabicyclo[3.2.1]octan-8-yl]methanone (CID 134156601) is [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(1R,5S)-3-(2,2,2-trifluoroethoxyimino)-8-azabicyclo[3.2.1]octan-8-yl]methanone.
What is the SMILES notation for [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(1R,5S)-3-(2,2,2-trifluoroethoxyimino)-8-azabicyclo[3.2.1]octan-8-yl]methanone?
The canonical SMILES for [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(1R,5S)-3-(2,2,2-trifluoroethoxyimino)-8-azabicyclo[3.2.1]octan-8-yl]methanone is Cc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4[C@@H]5CC[C@H]4C/C(=N/OCC(F)(F)F)C5)cn3)n2)s1.
What is the InChIKey of [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(1R,5S)-3-(2,2,2-trifluoroethoxyimino)-8-azabicyclo[3.2.1]octan-8-yl]methanone?
The InChIKey is HRPZHVMUTDQPOZ-LPMRMCHTSA-N. The full InChI is InChI=1S/C23H23F3N6O2S2/c1-12-20(36-13(2)28-12)18-10-35-22(29-18)30-19-6-3-14(9-27-19)21(33)32-16-4-5-17(32)8-15(7-16)31-34-11-23(24,25)26/h3,6,9-10,16-17H,4-5,7-8,11H2,1-2H3,(H,27,29,30)/b31-15-/t16-,17+/m0/s1.
What are the key properties of [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(1R,5S)-3-(2,2,2-trifluoroethoxyimino)-8-azabicyclo[3.2.1]octan-8-yl]methanone?
[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(1R,5S)-3-(2,2,2-trifluoroethoxyimino)-8-azabicyclo[3.2.1]octan-8-yl]methanone has a molecular weight of 536.61 g/mol, XLogP of 5.72, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(1R,5S)-3-(2,2,2-trifluoroethoxyimino)-8-azabicyclo[3.2.1]octan-8-yl]methanone is sourced from PubChem (CID 134156601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).