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

C17H12F3N5O2S — CID 178030268

IUPACN-[6-[3-acetamido-4-(trifluoromethyl)phenyl]pyridazin-3-yl]-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1cc(-c2ccc(NC(=O)c3cscn3)nn2)ccc1C(F)(F)F
InChIInChI=1S/C17H12F3N5O2S/c1-9(26)22-13-6-10(2-3-11(13)17(18,19)20)12-4-5-15(25-24-12)23-16(27)14-7-28-8-21-14/h2-8H,1H3,(H,22,26)(H,23,25,27)
InChIKeyNXQBAKWPSBVGAF-UHFFFAOYSA-N
MW407.38 g/mol
LogP3.83
Rot. Bonds4

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

N-[6-[3-acetamido-4-(trifluoromethyl)phenyl]pyridazin-3-yl]-1,3-thiazole-4-carboxamide (PubChem CID 178030268) has the molecular formula C17H12F3N5O2S and a molecular weight of 407.38 g/mol. Its IUPAC name is N-[6-[3-acetamido-4-(trifluoromethyl)phenyl]pyridazin-3-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-[3-acetamido-4-(trifluoromethyl)phenyl]pyridazin-3-yl]-1,3-thiazole-4-carboxamide
PubChem CID178030268
Molecular FormulaC17H12F3N5O2S
Molecular Weight407.38 g/mol
Exact Mass407.07
IUPAC NameN-[6-[3-acetamido-4-(trifluoromethyl)phenyl]pyridazin-3-yl]-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1cc(-c2ccc(NC(=O)c3cscn3)nn2)ccc1C(F)(F)F
InChIInChI=1S/C17H12F3N5O2S/c1-9(26)22-13-6-10(2-3-11(13)17(18,19)20)12-4-5-15(25-24-12)23-16(27)14-7-28-8-21-14/h2-8H,1H3,(H,22,26)(H,23,25,27)
InChIKeyNXQBAKWPSBVGAF-UHFFFAOYSA-N
XLogP3.83
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.38
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-[4-acetamido-3-(trifluoromethyl)phenyl]pyridazin-3-yl]-1,3-thiazole-4-carboxamide
CID 178030400
N-[6-[4-fluoro-3-(methylcarbamoyl)phenyl]pyridazin-3-yl]-1,3-thiazole-4-carboxamide
CID 178030289
5-chloro-N-[6-[3-methylsulfanyl-4-(trifluoromethyl)phenyl]pyridazin-3-yl]-1,3-thiazole-4-carboxamide
CID 178030308
N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide
CID 84554131
N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 55142680
N-[5-[1-[4-chloro-3-(trifluoromethyl)phenyl]ethylcarbamoylamino]-2-pyridinyl]-1,3-thiazole-4-carboxamide
CID 141025171
N-(5-fluoro-2-pyridinyl)-1,3-thiazole-4-carboxamide
CID 63235854
5-chloro-N-[6-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]-1,3-thiazole-4-carboxamide
CID 178030422
N-(trifluoromethyl)-1,3-thiazole-4-carboxamide
CID 154068900
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide
CID 62045979
N-[4-cyano-3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 65483586
N-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole-4-carboxamide
CID 130767344

Frequently Asked Questions

What is the IUPAC name of N-[6-[3-acetamido-4-(trifluoromethyl)phenyl]pyridazin-3-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[6-[3-acetamido-4-(trifluoromethyl)phenyl]pyridazin-3-yl]-1,3-thiazole-4-carboxamide (CID 178030268) is N-[6-[3-acetamido-4-(trifluoromethyl)phenyl]pyridazin-3-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[6-[3-acetamido-4-(trifluoromethyl)phenyl]pyridazin-3-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[6-[3-acetamido-4-(trifluoromethyl)phenyl]pyridazin-3-yl]-1,3-thiazole-4-carboxamide is CC(=O)Nc1cc(-c2ccc(NC(=O)c3cscn3)nn2)ccc1C(F)(F)F.
What is the InChIKey of N-[6-[3-acetamido-4-(trifluoromethyl)phenyl]pyridazin-3-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is NXQBAKWPSBVGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N5O2S/c1-9(26)22-13-6-10(2-3-11(13)17(18,19)20)12-4-5-15(25-24-12)23-16(27)14-7-28-8-21-14/h2-8H,1H3,(H,22,26)(H,23,25,27).
What are the key properties of N-[6-[3-acetamido-4-(trifluoromethyl)phenyl]pyridazin-3-yl]-1,3-thiazole-4-carboxamide?
N-[6-[3-acetamido-4-(trifluoromethyl)phenyl]pyridazin-3-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 407.38 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-acetamido-4-(trifluoromethyl)phenyl]pyridazin-3-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 178030268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).