2-[(6-pyridin-3-yl-2-pyridinyl)amino]-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide

C21H14F3N5O2S — CID 169101817

IUPAC2-[(6-pyridin-3-yl-2-pyridinyl)amino]-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(Nc2cccc(-c3cccnc3)n2)s1
InChIInChI=1S/C21H14F3N5O2S/c22-21(23,24)31-15-8-6-14(7-9-15)27-19(30)17-12-26-20(32-17)29-18-5-1-4-16(28-18)13-3-2-10-25-11-13/h1-12H,(H,27,30)(H,26,28,29)
InChIKeyHTGFVDPJVXMUFG-UHFFFAOYSA-N
MW457.44 g/mol
LogP5.49
Rot. Bonds6

About 2-[(6-pyridin-3-yl-2-pyridinyl)amino]-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide

2-[(6-pyridin-3-yl-2-pyridinyl)amino]-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 169101817) has the molecular formula C21H14F3N5O2S and a molecular weight of 457.44 g/mol. Its IUPAC name is 2-[(6-pyridin-3-yl-2-pyridinyl)amino]-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(6-pyridin-3-yl-2-pyridinyl)amino]-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide
PubChem CID169101817
Molecular FormulaC21H14F3N5O2S
Molecular Weight457.44 g/mol
Exact Mass457.08
IUPAC Name2-[(6-pyridin-3-yl-2-pyridinyl)amino]-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(Nc2cccc(-c3cccnc3)n2)s1
InChIInChI=1S/C21H14F3N5O2S/c22-21(23,24)31-15-8-6-14(7-9-15)27-19(30)17-12-26-20(32-17)29-18-5-1-4-16(28-18)13-3-2-10-25-11-13/h1-12H,(H,27,30)(H,26,28,29)
InChIKeyHTGFVDPJVXMUFG-UHFFFAOYSA-N
XLogP5.49
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.44
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[(6-pyridin-3-yl-2-pyridinyl)amino]-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide
CID 141271002
N-phenyl-2-(pyrazin-2-ylamino)-1,3-thiazole-5-carboxamide
CID 117093775
N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-(trifluoromethoxy)benzamide
CID 10298544
N-(6-pyridin-3-yl-2-pyridinyl)-1,3-thiazol-2-amine
CID 169101788
N-(4-acetamidophenyl)-2-(pyridin-3-ylmethylamino)-1,3-thiazole-5-carboxamide
CID 117085966
N-[4-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide
CID 23633023
N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide
CID 2711308
2-amino-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 62060327
N-[4-(trifluoromethoxy)phenyl]pyrimidine-5-carboxamide
CID 160971562
N-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]pyridine-3-carboxamide
CID 21203387
2-(2-pyridin-3-ylbenzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 30867745
2-(pyrimidin-2-ylamino)-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 90505988

Frequently Asked Questions

What is the IUPAC name of 2-[(6-pyridin-3-yl-2-pyridinyl)amino]-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(6-pyridin-3-yl-2-pyridinyl)amino]-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide (CID 169101817) is 2-[(6-pyridin-3-yl-2-pyridinyl)amino]-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(6-pyridin-3-yl-2-pyridinyl)amino]-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(6-pyridin-3-yl-2-pyridinyl)amino]-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide is O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(Nc2cccc(-c3cccnc3)n2)s1.
What is the InChIKey of 2-[(6-pyridin-3-yl-2-pyridinyl)amino]-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is HTGFVDPJVXMUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3N5O2S/c22-21(23,24)31-15-8-6-14(7-9-15)27-19(30)17-12-26-20(32-17)29-18-5-1-4-16(28-18)13-3-2-10-25-11-13/h1-12H,(H,27,30)(H,26,28,29).
What are the key properties of 2-[(6-pyridin-3-yl-2-pyridinyl)amino]-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide?
2-[(6-pyridin-3-yl-2-pyridinyl)amino]-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 457.44 g/mol, XLogP of 5.49, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-pyridin-3-yl-2-pyridinyl)amino]-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 169101817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).