2-[(3,5-dichloro-4-pyridinyl)amino]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide

C16H9Cl2F3N4OS — CID 10048470

IUPAC2-[(3,5-dichloro-4-pyridinyl)amino]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1csc(Nc2c(Cl)cncc2Cl)n1
InChIInChI=1S/C16H9Cl2F3N4OS/c17-10-5-22-6-11(18)13(10)25-15-24-12(7-27-15)14(26)23-9-3-1-8(2-4-9)16(19,20)21/h1-7H,(H,23,26)(H,22,24,25)
InChIKeyAVVDZLFQMRWRRI-UHFFFAOYSA-N
MW433.24 g/mol
LogP5.86
Rot. Bonds4

About 2-[(3,5-dichloro-4-pyridinyl)amino]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide

2-[(3,5-dichloro-4-pyridinyl)amino]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 10048470) has the molecular formula C16H9Cl2F3N4OS and a molecular weight of 433.24 g/mol. Its IUPAC name is 2-[(3,5-dichloro-4-pyridinyl)amino]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(3,5-dichloro-4-pyridinyl)amino]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID10048470
Molecular FormulaC16H9Cl2F3N4OS
Molecular Weight433.24 g/mol
Exact Mass431.98
IUPAC Name2-[(3,5-dichloro-4-pyridinyl)amino]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1csc(Nc2c(Cl)cncc2Cl)n1
InChIInChI=1S/C16H9Cl2F3N4OS/c17-10-5-22-6-11(18)13(10)25-15-24-12(7-27-15)14(26)23-9-3-1-8(2-4-9)16(19,20)21/h1-7H,(H,23,26)(H,22,24,25)
InChIKeyAVVDZLFQMRWRRI-UHFFFAOYSA-N
XLogP5.86
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.24
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichloro-4-pyridinyl)amino]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(3,5-dichloro-4-pyridinyl)amino]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide (CID 10048470) is 2-[(3,5-dichloro-4-pyridinyl)amino]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(3,5-dichloro-4-pyridinyl)amino]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(3,5-dichloro-4-pyridinyl)amino]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1csc(Nc2c(Cl)cncc2Cl)n1.
What is the InChIKey of 2-[(3,5-dichloro-4-pyridinyl)amino]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is AVVDZLFQMRWRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2F3N4OS/c17-10-5-22-6-11(18)13(10)25-15-24-12(7-27-15)14(26)23-9-3-1-8(2-4-9)16(19,20)21/h1-7H,(H,23,26)(H,22,24,25).
What are the key properties of 2-[(3,5-dichloro-4-pyridinyl)amino]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
2-[(3,5-dichloro-4-pyridinyl)amino]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 433.24 g/mol, XLogP of 5.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dichloro-4-pyridinyl)amino]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 10048470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).