2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide

C11H8F3N3OS — CID 117090795

IUPAC2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(Nc2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C11H8F3N3OS/c12-11(13,14)6-1-3-7(4-2-6)17-10-16-5-8(19-10)9(15)18/h1-5H,(H2,15,18)(H,16,17)
InChIKeyAMYBKIFCWZVXLE-UHFFFAOYSA-N
MW287.27 g/mol
LogP3.00
Rot. Bonds3

About 2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide

2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide (PubChem CID 117090795) has the molecular formula C11H8F3N3OS and a molecular weight of 287.27 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide
PubChem CID117090795
Molecular FormulaC11H8F3N3OS
Molecular Weight287.27 g/mol
Exact Mass287.03
IUPAC Name2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(Nc2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C11H8F3N3OS/c12-11(13,14)6-1-3-7(4-2-6)17-10-16-5-8(19-10)9(15)18/h1-5H,(H2,15,18)(H,16,17)
InChIKeyAMYBKIFCWZVXLE-UHFFFAOYSA-N
XLogP3.00
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide (CID 117090795) is 2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide is NC(=O)c1cnc(Nc2ccc(C(F)(F)F)cc2)s1.
What is the InChIKey of 2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide?
The InChIKey is AMYBKIFCWZVXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3OS/c12-11(13,14)6-1-3-7(4-2-6)17-10-16-5-8(19-10)9(15)18/h1-5H,(H2,15,18)(H,16,17).
What are the key properties of 2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide?
2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide has a molecular weight of 287.27 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 117090795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).