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

C16H12FN5O2S — CID 178030289

IUPACN-[6-[4-fluoro-3-(methylcarbamoyl)phenyl]pyridazin-3-yl]-1,3-thiazole-4-carboxamide
SMILESCNC(=O)c1cc(-c2ccc(NC(=O)c3cscn3)nn2)ccc1F
InChIInChI=1S/C16H12FN5O2S/c1-18-15(23)10-6-9(2-3-11(10)17)12-4-5-14(22-21-12)20-16(24)13-7-25-8-19-13/h2-8H,1H3,(H,18,23)(H,20,22,24)
InChIKeyJGNZVLKDEJHTMO-UHFFFAOYSA-N
MW357.37 g/mol
LogP2.35
Rot. Bonds4

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

N-[6-[4-fluoro-3-(methylcarbamoyl)phenyl]pyridazin-3-yl]-1,3-thiazole-4-carboxamide (PubChem CID 178030289) has the molecular formula C16H12FN5O2S and a molecular weight of 357.37 g/mol. Its IUPAC name is N-[6-[4-fluoro-3-(methylcarbamoyl)phenyl]pyridazin-3-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-[4-fluoro-3-(methylcarbamoyl)phenyl]pyridazin-3-yl]-1,3-thiazole-4-carboxamide
PubChem CID178030289
Molecular FormulaC16H12FN5O2S
Molecular Weight357.37 g/mol
Exact Mass357.07
IUPAC NameN-[6-[4-fluoro-3-(methylcarbamoyl)phenyl]pyridazin-3-yl]-1,3-thiazole-4-carboxamide
SMILESCNC(=O)c1cc(-c2ccc(NC(=O)c3cscn3)nn2)ccc1F
InChIInChI=1S/C16H12FN5O2S/c1-18-15(23)10-6-9(2-3-11(10)17)12-4-5-14(22-21-12)20-16(24)13-7-25-8-19-13/h2-8H,1H3,(H,18,23)(H,20,22,24)
InChIKeyJGNZVLKDEJHTMO-UHFFFAOYSA-N
XLogP2.35
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-[3-acetamido-4-(trifluoromethyl)phenyl]pyridazin-3-yl]-1,3-thiazole-4-carboxamide
CID 178030268
N-[6-[4-acetamido-3-(trifluoromethyl)phenyl]pyridazin-3-yl]-1,3-thiazole-4-carboxamide
CID 178030400
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide
CID 62045979
N-(3-carbamothioyl-4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 63022696
N-(5-fluoro-2-pyridinyl)-1,3-thiazole-4-carboxamide
CID 63235854
N-(3,4-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 62045147
N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 175705206
2-fluoro-5-(1,3-thiazol-4-yl)benzoic acid
CID 130878805
N-(2,5-difluoro-4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 103586232
N-[2-(4-chlorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 110462220
N-(4-chloro-2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 62045477
2-(3,4-difluorophenyl)-N-[5-(methylcarbamoyl)-1H-pyrazol-3-yl]-1,3-thiazole-4-carboxamide
CID 167902187

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-fluoro-3-(methylcarbamoyl)phenyl]pyridazin-3-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[6-[4-fluoro-3-(methylcarbamoyl)phenyl]pyridazin-3-yl]-1,3-thiazole-4-carboxamide (CID 178030289) is N-[6-[4-fluoro-3-(methylcarbamoyl)phenyl]pyridazin-3-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[6-[4-fluoro-3-(methylcarbamoyl)phenyl]pyridazin-3-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[6-[4-fluoro-3-(methylcarbamoyl)phenyl]pyridazin-3-yl]-1,3-thiazole-4-carboxamide is CNC(=O)c1cc(-c2ccc(NC(=O)c3cscn3)nn2)ccc1F.
What is the InChIKey of N-[6-[4-fluoro-3-(methylcarbamoyl)phenyl]pyridazin-3-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is JGNZVLKDEJHTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN5O2S/c1-18-15(23)10-6-9(2-3-11(10)17)12-4-5-14(22-21-12)20-16(24)13-7-25-8-19-13/h2-8H,1H3,(H,18,23)(H,20,22,24).
What are the key properties of N-[6-[4-fluoro-3-(methylcarbamoyl)phenyl]pyridazin-3-yl]-1,3-thiazole-4-carboxamide?
N-[6-[4-fluoro-3-(methylcarbamoyl)phenyl]pyridazin-3-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 357.37 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-fluoro-3-(methylcarbamoyl)phenyl]pyridazin-3-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 178030289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).