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

C26H21ClF5N3OS — CID 16744595

IUPACN-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4,5-dimethyl-1,3-thiazol-2-amine
SMILESCc1nc(N[C@](Cc2ccccc2)(c2cc(F)cc(OC(F)(F)C(F)F)c2)c2ccc(Cl)cn2)sc1C
InChIInChI=1S/C26H21ClF5N3OS/c1-15-16(2)37-24(34-15)35-25(13-17-6-4-3-5-7-17,22-9-8-19(27)14-33-22)18-10-20(28)12-21(11-18)36-26(31,32)23(29)30/h3-12,14,23H,13H2,1-2H3,(H,34,35)/t25-/m1/s1
InChIKeyOZMNGIYROHCDQU-RUZDIDTESA-N
MW553.98 g/mol
LogP7.78
Rot. Bonds9

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

N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4,5-dimethyl-1,3-thiazol-2-amine (PubChem CID 16744595) has the molecular formula C26H21ClF5N3OS and a molecular weight of 553.98 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]-4,5-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4,5-dimethyl-1,3-thiazol-2-amine
PubChem CID16744595
Molecular FormulaC26H21ClF5N3OS
Molecular Weight553.98 g/mol
Exact Mass553.10
IUPAC NameN-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4,5-dimethyl-1,3-thiazol-2-amine
SMILESCc1nc(N[C@](Cc2ccccc2)(c2cc(F)cc(OC(F)(F)C(F)F)c2)c2ccc(Cl)cn2)sc1C
InChIInChI=1S/C26H21ClF5N3OS/c1-15-16(2)37-24(34-15)35-25(13-17-6-4-3-5-7-17,22-9-8-19(27)14-33-22)18-10-20(28)12-21(11-18)36-26(31,32)23(29)30/h3-12,14,23H,13H2,1-2H3,(H,34,35)/t25-/m1/s1
InChIKeyOZMNGIYROHCDQU-RUZDIDTESA-N
XLogP7.78
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.98
LogP ≤ 57.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4,5-dimethyl-1,3-thiazol-2-amine 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 N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4,5-dimethyl-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]-4,5-dimethyl-1,3-thiazol-2-amine (CID 16744595) is N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4,5-dimethyl-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]-4,5-dimethyl-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]-4,5-dimethyl-1,3-thiazol-2-amine is Cc1nc(N[C@](Cc2ccccc2)(c2cc(F)cc(OC(F)(F)C(F)F)c2)c2ccc(Cl)cn2)sc1C.
What is the InChIKey of N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4,5-dimethyl-1,3-thiazol-2-amine?
The InChIKey is OZMNGIYROHCDQU-RUZDIDTESA-N. The full InChI is InChI=1S/C26H21ClF5N3OS/c1-15-16(2)37-24(34-15)35-25(13-17-6-4-3-5-7-17,22-9-8-19(27)14-33-22)18-10-20(28)12-21(11-18)36-26(31,32)23(29)30/h3-12,14,23H,13H2,1-2H3,(H,34,35)/t25-/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]-4,5-dimethyl-1,3-thiazol-2-amine?
N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4,5-dimethyl-1,3-thiazol-2-amine has a molecular weight of 553.98 g/mol, XLogP of 7.78, 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]-4,5-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 16744595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).