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

C15H9F3N4OS — CID 175845866

IUPAC2-pyridazin-4-yl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1nc(-c2ccnnc2)sc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H9F3N4OS/c16-15(17,18)10-3-1-2-8(6-10)12-11(13(19)23)22-14(24-12)9-4-5-20-21-7-9/h1-7H,(H2,19,23)
InChIKeyQHAPDCHOUQYGTN-UHFFFAOYSA-N
MW350.33 g/mol
LogP3.38
Rot. Bonds3

About 2-pyridazin-4-yl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide

2-pyridazin-4-yl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 175845866) has the molecular formula C15H9F3N4OS and a molecular weight of 350.33 g/mol. Its IUPAC name is 2-pyridazin-4-yl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-pyridazin-4-yl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID175845866
Molecular FormulaC15H9F3N4OS
Molecular Weight350.33 g/mol
Exact Mass350.04
IUPAC Name2-pyridazin-4-yl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1nc(-c2ccnnc2)sc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H9F3N4OS/c16-15(17,18)10-3-1-2-8(6-10)12-11(13(19)23)22-14(24-12)9-4-5-20-21-7-9/h1-7H,(H2,19,23)
InChIKeyQHAPDCHOUQYGTN-UHFFFAOYSA-N
XLogP3.38
TPSA81.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-pyridazin-4-yl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-pyridazin-4-yl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide (CID 175845866) is 2-pyridazin-4-yl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-pyridazin-4-yl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-pyridazin-4-yl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide is NC(=O)c1nc(-c2ccnnc2)sc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-pyridazin-4-yl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is QHAPDCHOUQYGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N4OS/c16-15(17,18)10-3-1-2-8(6-10)12-11(13(19)23)22-14(24-12)9-4-5-20-21-7-9/h1-7H,(H2,19,23).
What are the key properties of 2-pyridazin-4-yl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
2-pyridazin-4-yl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 350.33 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridazin-4-yl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 175845866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).