3-fluoro-N-[6-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide

C17H14FN5O2S2 — CID 42138424

IUPAC3-fluoro-N-[6-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide
SMILESCc1csc(NC(=O)CSc2ccc(NC(=O)c3cccc(F)c3)nn2)n1
InChIInChI=1S/C17H14FN5O2S2/c1-10-8-27-17(19-10)21-14(24)9-26-15-6-5-13(22-23-15)20-16(25)11-3-2-4-12(18)7-11/h2-8H,9H2,1H3,(H,19,21,24)(H,20,22,25)
InChIKeyGYFPNZMPBFGOCK-UHFFFAOYSA-N
MW403.46 g/mol
LogP3.36
Rot. Bonds6

About 3-fluoro-N-[6-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide

3-fluoro-N-[6-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide (PubChem CID 42138424) has the molecular formula C17H14FN5O2S2 and a molecular weight of 403.46 g/mol. Its IUPAC name is 3-fluoro-N-[6-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[6-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide
PubChem CID42138424
Molecular FormulaC17H14FN5O2S2
Molecular Weight403.46 g/mol
Exact Mass403.06
IUPAC Name3-fluoro-N-[6-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide
SMILESCc1csc(NC(=O)CSc2ccc(NC(=O)c3cccc(F)c3)nn2)n1
InChIInChI=1S/C17H14FN5O2S2/c1-10-8-27-17(19-10)21-14(24)9-26-15-6-5-13(22-23-15)20-16(25)11-3-2-4-12(18)7-11/h2-8H,9H2,1H3,(H,19,21,24)(H,20,22,25)
InChIKeyGYFPNZMPBFGOCK-UHFFFAOYSA-N
XLogP3.36
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-fluoro-N-[6-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide with MolForge

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Related Compounds

VU0240551
CID 7211972
2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 7502837
4-Fluoro-N-(4-((2-oxo-2-((4-phenylthiazol-2-yl)amino)ethyl)thio)phenyl)benzamide
CID 20169956
N-[4-(4-methyl-1,3-thiazol-2-yl)-1-phenylpyrazol-5-yl]benzamide
CID 2123128
N-(1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-(thiophen-2-yl)-1H-pyrazol-5-yl)-4-fluorobenzamide
CID 135881073
2,4-difluoro-N-(1-(4-isopropyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-(thiophen-2-yl)-1H-pyrazol-5-yl)benzamide
CID 135912543
N-(4-(2-fluoro-3-(trifluoromethyl)phenyl)thiazol-2-yl)-4-(pyridazin-3-ylamino)benzamide
CID 11655509
N-[5-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]benzamide
CID 11958795
Benzamide, N-(3-phenyl-1-(4-phenyl-2-thiazolyl)-1H-pyrazol-5-yl)-
CID 3057628
Benzamide, N-(3-(4-methylphenyl)-1-(4-phenyl-2-thiazolyl)-1H-pyrazol-5-yl)-
CID 3057631
3-fluoro-N-[4-(4-methyl-1,3-thiazol-2-yl)-1-phenylpyrazol-5-yl]benzamide
CID 2123250
2-((3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)-N-(4-methylthiazol-2-yl)acetamide
CID 7118068

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[6-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide?
The IUPAC name of 3-fluoro-N-[6-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide (CID 42138424) is 3-fluoro-N-[6-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide.
What is the SMILES notation for 3-fluoro-N-[6-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide?
The canonical SMILES for 3-fluoro-N-[6-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide is Cc1csc(NC(=O)CSc2ccc(NC(=O)c3cccc(F)c3)nn2)n1.
What is the InChIKey of 3-fluoro-N-[6-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide?
The InChIKey is GYFPNZMPBFGOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O2S2/c1-10-8-27-17(19-10)21-14(24)9-26-15-6-5-13(22-23-15)20-16(25)11-3-2-4-12(18)7-11/h2-8H,9H2,1H3,(H,19,21,24)(H,20,22,25).
What are the key properties of 3-fluoro-N-[6-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide?
3-fluoro-N-[6-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide has a molecular weight of 403.46 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[6-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide is sourced from PubChem (CID 42138424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).