N-[1-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]-2-oxo-4-pyridinyl]-1,3-thiazole-4-carboxamide

C19H12F6N4O3S — CID 90144158

IUPACN-[1-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]-2-oxo-4-pyridinyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Cn1ccc(NC(=O)c2cscn2)cc1=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C19H12F6N4O3S/c20-18(21,22)10-3-11(19(23,24)25)5-13(4-10)27-15(30)7-29-2-1-12(6-16(29)31)28-17(32)14-8-33-9-26-14/h1-6,8-9H,7H2,(H,27,30)(H,28,32)
InChIKeyGOIXZTVOCGFDNV-UHFFFAOYSA-N
MW490.39 g/mol
LogP4.23
Rot. Bonds5

About N-[1-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]-2-oxo-4-pyridinyl]-1,3-thiazole-4-carboxamide

N-[1-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]-2-oxo-4-pyridinyl]-1,3-thiazole-4-carboxamide (PubChem CID 90144158) has the molecular formula C19H12F6N4O3S and a molecular weight of 490.39 g/mol. Its IUPAC name is N-[1-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]-2-oxo-4-pyridinyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]-2-oxo-4-pyridinyl]-1,3-thiazole-4-carboxamide
PubChem CID90144158
Molecular FormulaC19H12F6N4O3S
Molecular Weight490.39 g/mol
Exact Mass490.05
IUPAC NameN-[1-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]-2-oxo-4-pyridinyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Cn1ccc(NC(=O)c2cscn2)cc1=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C19H12F6N4O3S/c20-18(21,22)10-3-11(19(23,24)25)5-13(4-10)27-15(30)7-29-2-1-12(6-16(29)31)28-17(32)14-8-33-9-26-14/h1-6,8-9H,7H2,(H,27,30)(H,28,32)
InChIKeyGOIXZTVOCGFDNV-UHFFFAOYSA-N
XLogP4.23
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.39
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]-2-oxo-4-pyridinyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[1-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]-2-oxo-4-pyridinyl]-1,3-thiazole-4-carboxamide (CID 90144158) is N-[1-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]-2-oxo-4-pyridinyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[1-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]-2-oxo-4-pyridinyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[1-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]-2-oxo-4-pyridinyl]-1,3-thiazole-4-carboxamide is O=C(Cn1ccc(NC(=O)c2cscn2)cc1=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[1-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]-2-oxo-4-pyridinyl]-1,3-thiazole-4-carboxamide?
The InChIKey is GOIXZTVOCGFDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F6N4O3S/c20-18(21,22)10-3-11(19(23,24)25)5-13(4-10)27-15(30)7-29-2-1-12(6-16(29)31)28-17(32)14-8-33-9-26-14/h1-6,8-9H,7H2,(H,27,30)(H,28,32).
What are the key properties of N-[1-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]-2-oxo-4-pyridinyl]-1,3-thiazole-4-carboxamide?
N-[1-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]-2-oxo-4-pyridinyl]-1,3-thiazole-4-carboxamide has a molecular weight of 490.39 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]-2-oxo-4-pyridinyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 90144158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).