N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine

C26H18ClF8N3OS — CID 16744597

About N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine

N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 16744597) has the molecular formula C26H18ClF8N3OS and a molecular weight of 607.95 g/mol. Its IUPAC name is N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine
• PubChem CID: 16744597
• Molecular Formula: C26H18ClF8N3OS
• Molecular Weight: 607.95 g/mol
• Exact Mass: 607.07
• IUPAC Name: N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine
• SMILES: Cc1sc(N[C@](Cc2ccccc2)(c2cc(F)cc(OC(F)(F)C(F)F)c2)c2ccc(Cl)cn2)nc1C(F)(F)F
• InChI: InChI=1S/C26H18ClF8N3OS/c1-14-21(25(31,32)33)37-23(40-14)38-24(12-15-5-3-2-4-6-15,20-8-7-17(27)13-36-20)16-9-18(28)11-19(10-16)39-26(34,35)22(29)30/h2-11,13,22H,12H2,1H3,(H,37,38)/t24-/m1/s1
• InChIKey: VXVXUOCSXHINSV-XMMPIXPASA-N
• XLogP: 8.49
• TPSA: 47.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	607.95
LogP ≤ 5	8.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine?

The IUPAC name of N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine (CID 16744597) is N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine.

What is the SMILES notation for N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine?

The canonical SMILES for N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine is Cc1sc(N[C@](Cc2ccccc2)(c2cc(F)cc(OC(F)(F)C(F)F)c2)c2ccc(Cl)cn2)nc1C(F)(F)F.

What is the InChIKey of N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine?

The InChIKey is VXVXUOCSXHINSV-XMMPIXPASA-N. The full InChI is InChI=1S/C26H18ClF8N3OS/c1-14-21(25(31,32)33)37-23(40-14)38-24(12-15-5-3-2-4-6-15,20-8-7-17(27)13-36-20)16-9-18(28)11-19(10-16)39-26(34,35)22(29)30/h2-11,13,22H,12H2,1H3,(H,37,38)/t24-/m1/s1.

What are the key properties of N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine?

N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 607.95 g/mol, XLogP of 8.49, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 16744597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).