(2-methyl-5-phenyl-1,3-thiazol-4-yl)-[(6S)-6-[[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]-5-azaspiro[2.4]heptan-5-yl]methanone

C25H25F3N4OS — CID 71602482

About (2-methyl-5-phenyl-1,3-thiazol-4-yl)-[(6S)-6-[[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]-5-azaspiro[2.4]heptan-5-yl]methanone

(2-methyl-5-phenyl-1,3-thiazol-4-yl)-[(6S)-6-[[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]-5-azaspiro[2.4]heptan-5-yl]methanone (PubChem CID 71602482) has the molecular formula C25H25F3N4OS and a molecular weight of 486.56 g/mol. Its IUPAC name is (2-methyl-5-phenyl-1,3-thiazol-4-yl)-[(6S)-6-[[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]-5-azaspiro[2.4]heptan-5-yl]methanone.

Molecular Properties

• Compound Name: (2-methyl-5-phenyl-1,3-thiazol-4-yl)-[(6S)-6-[[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]-5-azaspiro[2.4]heptan-5-yl]methanone
• PubChem CID: 71602482
• Molecular Formula: C25H25F3N4OS
• Molecular Weight: 486.56 g/mol
• Exact Mass: 486.17
• IUPAC Name: (2-methyl-5-phenyl-1,3-thiazol-4-yl)-[(6S)-6-[[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]-5-azaspiro[2.4]heptan-5-yl]methanone
• SMILES: Cc1cc(C(F)(F)F)cc(NC[C@@H]2CC3(CC3)CN2C(=O)c2nc(C)sc2-c2ccccc2)n1
• InChI: InChI=1S/C25H25F3N4OS/c1-15-10-18(25(26,27)28)11-20(30-15)29-13-19-12-24(8-9-24)14-32(19)23(33)21-22(34-16(2)31-21)17-6-4-3-5-7-17/h3-7,10-11,19H,8-9,12-14H2,1-2H3,(H,29,30)/t19-/m0/s1
• InChIKey: AJNCVXFJWXFNFR-IBGZPJMESA-N
• XLogP: 5.95
• TPSA: 58.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.56
LogP ≤ 5	5.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2-methyl-5-phenyl-1,3-thiazol-4-yl)-[(6S)-6-[[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]-5-azaspiro[2.4]heptan-5-yl]methanone?

The IUPAC name of (2-methyl-5-phenyl-1,3-thiazol-4-yl)-[(6S)-6-[[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]-5-azaspiro[2.4]heptan-5-yl]methanone (CID 71602482) is (2-methyl-5-phenyl-1,3-thiazol-4-yl)-[(6S)-6-[[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]-5-azaspiro[2.4]heptan-5-yl]methanone.

What is the SMILES notation for (2-methyl-5-phenyl-1,3-thiazol-4-yl)-[(6S)-6-[[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]-5-azaspiro[2.4]heptan-5-yl]methanone?

The canonical SMILES for (2-methyl-5-phenyl-1,3-thiazol-4-yl)-[(6S)-6-[[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]-5-azaspiro[2.4]heptan-5-yl]methanone is Cc1cc(C(F)(F)F)cc(NC[C@@H]2CC3(CC3)CN2C(=O)c2nc(C)sc2-c2ccccc2)n1.

What is the InChIKey of (2-methyl-5-phenyl-1,3-thiazol-4-yl)-[(6S)-6-[[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]-5-azaspiro[2.4]heptan-5-yl]methanone?

The InChIKey is AJNCVXFJWXFNFR-IBGZPJMESA-N. The full InChI is InChI=1S/C25H25F3N4OS/c1-15-10-18(25(26,27)28)11-20(30-15)29-13-19-12-24(8-9-24)14-32(19)23(33)21-22(34-16(2)31-21)17-6-4-3-5-7-17/h3-7,10-11,19H,8-9,12-14H2,1-2H3,(H,29,30)/t19-/m0/s1.

What are the key properties of (2-methyl-5-phenyl-1,3-thiazol-4-yl)-[(6S)-6-[[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]-5-azaspiro[2.4]heptan-5-yl]methanone?

(2-methyl-5-phenyl-1,3-thiazol-4-yl)-[(6S)-6-[[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]-5-azaspiro[2.4]heptan-5-yl]methanone has a molecular weight of 486.56 g/mol, XLogP of 5.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2-methyl-5-phenyl-1,3-thiazol-4-yl)-[(6S)-6-[[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]-5-azaspiro[2.4]heptan-5-yl]methanone is sourced from PubChem (CID 71602482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).