2-(2,6-dichloroanilino)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide

C17H10Cl2F3N3OS — CID 11661966

IUPAC2-(2,6-dichloroanilino)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1csc(Nc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C17H10Cl2F3N3OS/c18-11-2-1-3-12(19)14(11)25-16-24-13(8-27-16)15(26)23-10-6-4-9(5-7-10)17(20,21)22/h1-8H,(H,23,26)(H,24,25)
InChIKeyODKYPTGXSGQDNU-UHFFFAOYSA-N
MW432.25 g/mol
LogP6.46
Rot. Bonds4

About 2-(2,6-dichloroanilino)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide

2-(2,6-dichloroanilino)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 11661966) has the molecular formula C17H10Cl2F3N3OS and a molecular weight of 432.25 g/mol. Its IUPAC name is 2-(2,6-dichloroanilino)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,6-dichloroanilino)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID11661966
Molecular FormulaC17H10Cl2F3N3OS
Molecular Weight432.25 g/mol
Exact Mass430.99
IUPAC Name2-(2,6-dichloroanilino)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1csc(Nc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C17H10Cl2F3N3OS/c18-11-2-1-3-12(19)14(11)25-16-24-13(8-27-16)15(26)23-10-6-4-9(5-7-10)17(20,21)22/h1-8H,(H,23,26)(H,24,25)
InChIKeyODKYPTGXSGQDNU-UHFFFAOYSA-N
XLogP6.46
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.25
LogP ≤ 56.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichloroanilino)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2,6-dichloroanilino)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide (CID 11661966) is 2-(2,6-dichloroanilino)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2,6-dichloroanilino)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2,6-dichloroanilino)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1csc(Nc2c(Cl)cccc2Cl)n1.
What is the InChIKey of 2-(2,6-dichloroanilino)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is ODKYPTGXSGQDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2F3N3OS/c18-11-2-1-3-12(19)14(11)25-16-24-13(8-27-16)15(26)23-10-6-4-9(5-7-10)17(20,21)22/h1-8H,(H,23,26)(H,24,25).
What are the key properties of 2-(2,6-dichloroanilino)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
2-(2,6-dichloroanilino)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 432.25 g/mol, XLogP of 6.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichloroanilino)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 11661966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).