4-[4-[5-[2-[3,5-bis(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-3-pyridinyl]phenyl]-N-[3,5-bis(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

C33H17F12N5S2 — CID 139227757

IUPAC4-[4-[5-[2-[3,5-bis(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-3-pyridinyl]phenyl]-N-[3,5-bis(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESFC(F)(F)c1cc(Nc2nc(-c3ccc(-c4cncc(-c5csc(Nc6cc(C(F)(F)F)cc(C(F)(F)F)c6)n5)c4)cc3)cs2)cc(C(F)(F)F)c1
InChIInChI=1S/C33H17F12N5S2/c34-30(35,36)20-6-21(31(37,38)39)9-24(8-20)47-28-49-26(14-51-28)17-3-1-16(2-4-17)18-5-19(13-46-12-18)27-15-52-29(50-27)48-25-10-22(32(40,41)42)7-23(11-25)33(43,44)45/h1-15H,(H,47,49)(H,48,50)
InChIKeyLSQLIJYQYBSSOH-UHFFFAOYSA-N
MW775.64 g/mol
LogP12.56
Rot. Bonds7

About 4-[4-[5-[2-[3,5-bis(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-3-pyridinyl]phenyl]-N-[3,5-bis(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

4-[4-[5-[2-[3,5-bis(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-3-pyridinyl]phenyl]-N-[3,5-bis(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (PubChem CID 139227757) has the molecular formula C33H17F12N5S2 and a molecular weight of 775.64 g/mol. Its IUPAC name is 4-[4-[5-[2-[3,5-bis(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-3-pyridinyl]phenyl]-N-[3,5-bis(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[4-[5-[2-[3,5-bis(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-3-pyridinyl]phenyl]-N-[3,5-bis(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
PubChem CID139227757
Molecular FormulaC33H17F12N5S2
Molecular Weight775.64 g/mol
Exact Mass775.07
IUPAC Name4-[4-[5-[2-[3,5-bis(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-3-pyridinyl]phenyl]-N-[3,5-bis(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESFC(F)(F)c1cc(Nc2nc(-c3ccc(-c4cncc(-c5csc(Nc6cc(C(F)(F)F)cc(C(F)(F)F)c6)n5)c4)cc3)cs2)cc(C(F)(F)F)c1
InChIInChI=1S/C33H17F12N5S2/c34-30(35,36)20-6-21(31(37,38)39)9-24(8-20)47-28-49-26(14-51-28)17-3-1-16(2-4-17)18-5-19(13-46-12-18)27-15-52-29(50-27)48-25-10-22(32(40,41)42)7-23(11-25)33(43,44)45/h1-15H,(H,47,49)(H,48,50)
InChIKeyLSQLIJYQYBSSOH-UHFFFAOYSA-N
XLogP12.56
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500775.64
LogP ≤ 512.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[4-[5-[2-[3,5-bis(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-3-pyridinyl]phenyl]-N-[3,5-bis(trifluoromethyl)phenyl]-1,3-thiazol-2-amine with MolForge

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Launch Full Analysis

Related Compounds

2-Thiazolamine, N-(5-ethyl-2,4-dimethylphenyl)-4-(3-fluoro-4-(4-methyl-1H-imidazol-1-yl)phenyl)-
CID 46853593
N-(3,4-dimethylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 972507
N-(6-methyl-2-pyridinyl)-4-(4-pyridin-3-ylphenyl)-1,3-thiazol-2-amine
CID 71615268
4-[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 89423074
4-[4-[2-(dimethylamino)-4-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 89423193
N,N-dimethyl-5-(4-{2-[(6-methylpyridin-2-yl)amino]-1,3-thiazol-4-yl}phenyl)pyridin-2-amine
CID 89423213
N-(6-methyl-2-pyridinyl)-4-(4-pyridin-4-ylphenyl)-1,3-thiazol-2-amine
CID 89427046
N-(6-methyl-2-pyridinyl)-4-[4-(3-methyl-4-pyridinyl)phenyl]-1,3-thiazol-2-amine
CID 89427070
4-[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 89427087
N-(2,5-dimethylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 972997
4-(2,4-dimethylphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 873221
4,5-diphenyl-N-pyridin-4-yl-1,3-thiazol-2-amine;hydrobromide
CID 44533128

Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-[2-[3,5-bis(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-3-pyridinyl]phenyl]-N-[3,5-bis(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[4-[5-[2-[3,5-bis(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-3-pyridinyl]phenyl]-N-[3,5-bis(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (CID 139227757) is 4-[4-[5-[2-[3,5-bis(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-3-pyridinyl]phenyl]-N-[3,5-bis(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[4-[5-[2-[3,5-bis(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-3-pyridinyl]phenyl]-N-[3,5-bis(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[4-[5-[2-[3,5-bis(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-3-pyridinyl]phenyl]-N-[3,5-bis(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is FC(F)(F)c1cc(Nc2nc(-c3ccc(-c4cncc(-c5csc(Nc6cc(C(F)(F)F)cc(C(F)(F)F)c6)n5)c4)cc3)cs2)cc(C(F)(F)F)c1.
What is the InChIKey of 4-[4-[5-[2-[3,5-bis(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-3-pyridinyl]phenyl]-N-[3,5-bis(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is LSQLIJYQYBSSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H17F12N5S2/c34-30(35,36)20-6-21(31(37,38)39)9-24(8-20)47-28-49-26(14-51-28)17-3-1-16(2-4-17)18-5-19(13-46-12-18)27-15-52-29(50-27)48-25-10-22(32(40,41)42)7-23(11-25)33(43,44)45/h1-15H,(H,47,49)(H,48,50).
What are the key properties of 4-[4-[5-[2-[3,5-bis(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-3-pyridinyl]phenyl]-N-[3,5-bis(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
4-[4-[5-[2-[3,5-bis(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-3-pyridinyl]phenyl]-N-[3,5-bis(trifluoromethyl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 775.64 g/mol, XLogP of 12.56, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-[2-[3,5-bis(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-3-pyridinyl]phenyl]-N-[3,5-bis(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 139227757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).