3,5-dichloro-4-[4-[(6-methylpyridazin-3-yl)amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzonitrile

C18H10Cl2N6S — CID 56952209

IUPAC3,5-dichloro-4-[4-[(6-methylpyridazin-3-yl)amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzonitrile
SMILESCc1ccc(Nc2nccc3nc(-c4c(Cl)cc(C#N)cc4Cl)sc23)nn1
InChIInChI=1S/C18H10Cl2N6S/c1-9-2-3-14(26-25-9)24-17-16-13(4-5-22-17)23-18(27-16)15-11(19)6-10(8-21)7-12(15)20/h2-7H,1H3,(H,22,24,26)
InChIKeyHVZGTSYGISAZBB-UHFFFAOYSA-N
MW413.29 g/mol
LogP5.38
Rot. Bonds3

About 3,5-dichloro-4-[4-[(6-methylpyridazin-3-yl)amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzonitrile

3,5-dichloro-4-[4-[(6-methylpyridazin-3-yl)amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzonitrile (PubChem CID 56952209) has the molecular formula C18H10Cl2N6S and a molecular weight of 413.29 g/mol. Its IUPAC name is 3,5-dichloro-4-[4-[(6-methylpyridazin-3-yl)amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzonitrile.

Molecular Properties

Compound Name3,5-dichloro-4-[4-[(6-methylpyridazin-3-yl)amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzonitrile
PubChem CID56952209
Molecular FormulaC18H10Cl2N6S
Molecular Weight413.29 g/mol
Exact Mass412.01
IUPAC Name3,5-dichloro-4-[4-[(6-methylpyridazin-3-yl)amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzonitrile
SMILESCc1ccc(Nc2nccc3nc(-c4c(Cl)cc(C#N)cc4Cl)sc23)nn1
InChIInChI=1S/C18H10Cl2N6S/c1-9-2-3-14(26-25-9)24-17-16-13(4-5-22-17)23-18(27-16)15-11(19)6-10(8-21)7-12(15)20/h2-7H,1H3,(H,22,24,26)
InChIKeyHVZGTSYGISAZBB-UHFFFAOYSA-N
XLogP5.38
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.29
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3,5-dichloro-4-[4-[(6-chloropyrimidin-4-yl)amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzonitrile
CID 86668995
3-chloro-4-(4-chloro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-fluorobenzonitrile
CID 86723314
1-[6-[[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]ethane-1,2-diol
CID 66801305
tert-butyl N-[3,5-dichloro-4-[4-[(6-methylpyrimidin-4-yl)amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]phenyl]carbamate;1,4-dioxane
CID 161127573
2-[4-[6-[[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 56953484
3,5-dichloro-4-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]-1H-imidazo[4,5-c]pyridin-2-yl]benzonitrile
CID 67383645
6-[(2-chloro-6-methylpyrimidin-4-yl)amino]pyridine-3-carbonitrile
CID 86621532
3-chloro-4-[(2-chloro-6-methylpyrimidin-4-yl)amino]benzonitrile
CID 107809621
3-[(6-chloropyridazin-3-yl)amino]-4-methylbenzonitrile
CID 62105253
4-methyl-3-[(3,5,6-trichloro-2-pyridinyl)amino]benzonitrile
CID 102750947
2-[(5-chloroquinolin-8-yl)amino]-6-methylpyridine-4-carbonitrile
CID 114766696
4-chloro-2-methylpyridine;2-methylpyridine-4-carbonitrile
CID 160905410

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-[4-[(6-methylpyridazin-3-yl)amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzonitrile?
The IUPAC name of 3,5-dichloro-4-[4-[(6-methylpyridazin-3-yl)amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzonitrile (CID 56952209) is 3,5-dichloro-4-[4-[(6-methylpyridazin-3-yl)amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzonitrile.
What is the SMILES notation for 3,5-dichloro-4-[4-[(6-methylpyridazin-3-yl)amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzonitrile?
The canonical SMILES for 3,5-dichloro-4-[4-[(6-methylpyridazin-3-yl)amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzonitrile is Cc1ccc(Nc2nccc3nc(-c4c(Cl)cc(C#N)cc4Cl)sc23)nn1.
What is the InChIKey of 3,5-dichloro-4-[4-[(6-methylpyridazin-3-yl)amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzonitrile?
The InChIKey is HVZGTSYGISAZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Cl2N6S/c1-9-2-3-14(26-25-9)24-17-16-13(4-5-22-17)23-18(27-16)15-11(19)6-10(8-21)7-12(15)20/h2-7H,1H3,(H,22,24,26).
What are the key properties of 3,5-dichloro-4-[4-[(6-methylpyridazin-3-yl)amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzonitrile?
3,5-dichloro-4-[4-[(6-methylpyridazin-3-yl)amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzonitrile has a molecular weight of 413.29 g/mol, XLogP of 5.38, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-[4-[(6-methylpyridazin-3-yl)amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzonitrile is sourced from PubChem (CID 56952209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).