5-chloro-N-[6-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]-1,3-thiazole-4-carboxamide

C15H8ClF3N4OS — CID 178030422

IUPAC5-chloro-N-[6-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(-c2cccc(C(F)(F)F)c2)nn1)c1ncsc1Cl
InChIInChI=1S/C15H8ClF3N4OS/c16-13-12(20-7-25-13)14(24)21-11-5-4-10(22-23-11)8-2-1-3-9(6-8)15(17,18)19/h1-7H,(H,21,23,24)
InChIKeyUVLZXQAFDZUIAG-UHFFFAOYSA-N
MW384.77 g/mol
LogP4.52
Rot. Bonds3

About 5-chloro-N-[6-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]-1,3-thiazole-4-carboxamide

5-chloro-N-[6-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]-1,3-thiazole-4-carboxamide (PubChem CID 178030422) has the molecular formula C15H8ClF3N4OS and a molecular weight of 384.77 g/mol. Its IUPAC name is 5-chloro-N-[6-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[6-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]-1,3-thiazole-4-carboxamide
PubChem CID178030422
Molecular FormulaC15H8ClF3N4OS
Molecular Weight384.77 g/mol
Exact Mass384.01
IUPAC Name5-chloro-N-[6-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(-c2cccc(C(F)(F)F)c2)nn1)c1ncsc1Cl
InChIInChI=1S/C15H8ClF3N4OS/c16-13-12(20-7-25-13)14(24)21-11-5-4-10(22-23-11)8-2-1-3-9(6-8)15(17,18)19/h1-7H,(H,21,23,24)
InChIKeyUVLZXQAFDZUIAG-UHFFFAOYSA-N
XLogP4.52
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.77
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[6-[3-methylsulfanyl-4-(trifluoromethyl)phenyl]pyridazin-3-yl]-1,3-thiazole-4-carboxamide
CID 178030308
N-ethyl-6-[3-(trifluoromethyl)phenyl]pyridazin-3-amine
CID 62201435
3-fluoro-N-[6-[3-(trifluoromethoxy)phenyl]pyridazin-3-yl]pyridine-2-carboxamide
CID 178030034
N-(6-chloropyridazin-3-yl)-2-[3-(trifluoromethyl)phenyl]-3H-indole-7-carboxamide
CID 58278684
2,6-dichloro-N-[5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]benzamide
CID 13035548
N-[6-[3-acetamido-4-(trifluoromethyl)phenyl]pyridazin-3-yl]-1,3-thiazole-4-carboxamide
CID 178030268
2-bromo-N-(6-chloropyridazin-3-yl)-5-(trifluoromethyl)benzamide
CID 115744112
N-(6-phenylpyridazin-3-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 122143388
2,6-dichloro-N-[[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]carbamoyl]benzamide
CID 13242668
5-chloro-2-[3-(trifluoromethyl)phenyl]benzamide
CID 118822797
N-(4-chloro-2-pyridinyl)-3-(trifluoromethyl)benzamide
CID 115626766
N-(3-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134797818

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[6-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-chloro-N-[6-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]-1,3-thiazole-4-carboxamide (CID 178030422) is 5-chloro-N-[6-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[6-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-chloro-N-[6-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]-1,3-thiazole-4-carboxamide is O=C(Nc1ccc(-c2cccc(C(F)(F)F)c2)nn1)c1ncsc1Cl.
What is the InChIKey of 5-chloro-N-[6-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is UVLZXQAFDZUIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF3N4OS/c16-13-12(20-7-25-13)14(24)21-11-5-4-10(22-23-11)8-2-1-3-9(6-8)15(17,18)19/h1-7H,(H,21,23,24).
What are the key properties of 5-chloro-N-[6-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]-1,3-thiazole-4-carboxamide?
5-chloro-N-[6-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 384.77 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[6-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 178030422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).