N-[4-(trifluoromethyl)phenyl]-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]-1,3-thiazole-4-carboxamide

C18H10F6N4O2S — CID 165073935

IUPACN-[4-(trifluoromethyl)phenyl]-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1scnc1C(=O)Nc1ccc(C(F)(F)F)cc1)c1cncc(C(F)(F)F)c1
InChIInChI=1S/C18H10F6N4O2S/c19-17(20,21)10-1-3-12(4-2-10)27-15(30)13-16(31-8-26-13)28-14(29)9-5-11(7-25-6-9)18(22,23)24/h1-8H,(H,27,30)(H,28,29)
InChIKeyHHDYMLQFRAIAFC-UHFFFAOYSA-N
MW460.36 g/mol
LogP5.08
Rot. Bonds4

About N-[4-(trifluoromethyl)phenyl]-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]-1,3-thiazole-4-carboxamide

N-[4-(trifluoromethyl)phenyl]-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]-1,3-thiazole-4-carboxamide (PubChem CID 165073935) has the molecular formula C18H10F6N4O2S and a molecular weight of 460.36 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)phenyl]-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)phenyl]-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]-1,3-thiazole-4-carboxamide
PubChem CID165073935
Molecular FormulaC18H10F6N4O2S
Molecular Weight460.36 g/mol
Exact Mass460.04
IUPAC NameN-[4-(trifluoromethyl)phenyl]-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1scnc1C(=O)Nc1ccc(C(F)(F)F)cc1)c1cncc(C(F)(F)F)c1
InChIInChI=1S/C18H10F6N4O2S/c19-17(20,21)10-1-3-12(4-2-10)27-15(30)13-16(31-8-26-13)28-14(29)9-5-11(7-25-6-9)18(22,23)24/h1-8H,(H,27,30)(H,28,29)
InChIKeyHHDYMLQFRAIAFC-UHFFFAOYSA-N
XLogP5.08
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.36
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-(trifluoromethyl)phenyl]-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

N-(4-pyrrolidin-1-ylphenyl)-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxamide
CID 164811151
3-N-(2-methylpropyl)-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 109102234
3-N-(3-methylbutyl)-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 109107173
N-pyrimidin-2-yl-5-(trifluoromethyl)pyridine-3-carboxamide
CID 154758058
N-(4-acetylphenyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109245760
3-N-(3-methoxypropyl)-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 109103680
3-N-benzyl-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 109105061
5-(4-chlorophenyl)sulfonyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 166887624
4-methyl-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 174184894
N-(3-pyrrolidin-1-ylphenyl)-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxamide
CID 164811168
N-(6-fluoro-3-pyridinyl)-4-(trifluoromethyl)benzamide
CID 103789776
6-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 55509070

Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethyl)phenyl]-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[4-(trifluoromethyl)phenyl]-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]-1,3-thiazole-4-carboxamide (CID 165073935) is N-[4-(trifluoromethyl)phenyl]-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[4-(trifluoromethyl)phenyl]-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[4-(trifluoromethyl)phenyl]-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]-1,3-thiazole-4-carboxamide is O=C(Nc1scnc1C(=O)Nc1ccc(C(F)(F)F)cc1)c1cncc(C(F)(F)F)c1.
What is the InChIKey of N-[4-(trifluoromethyl)phenyl]-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]-1,3-thiazole-4-carboxamide?
The InChIKey is HHDYMLQFRAIAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F6N4O2S/c19-17(20,21)10-1-3-12(4-2-10)27-15(30)13-16(31-8-26-13)28-14(29)9-5-11(7-25-6-9)18(22,23)24/h1-8H,(H,27,30)(H,28,29).
What are the key properties of N-[4-(trifluoromethyl)phenyl]-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]-1,3-thiazole-4-carboxamide?
N-[4-(trifluoromethyl)phenyl]-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]-1,3-thiazole-4-carboxamide has a molecular weight of 460.36 g/mol, XLogP of 5.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethyl)phenyl]-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 165073935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).