3-[2-(6-methoxypyridazin-3-yl)-1,3-thiazol-4-yl]aniline

C14H12N4OS — CID 103374862

IUPAC3-[2-(6-methoxypyridazin-3-yl)-1,3-thiazol-4-yl]aniline
SMILESCOc1ccc(-c2nc(-c3cccc(N)c3)cs2)nn1
InChIInChI=1S/C14H12N4OS/c1-19-13-6-5-11(17-18-13)14-16-12(8-20-14)9-3-2-4-10(15)7-9/h2-8H,15H2,1H3
InChIKeyKTEVYRBEMMVGII-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.86
Rot. Bonds3

About 3-[2-(6-methoxypyridazin-3-yl)-1,3-thiazol-4-yl]aniline

3-[2-(6-methoxypyridazin-3-yl)-1,3-thiazol-4-yl]aniline (PubChem CID 103374862) has the molecular formula C14H12N4OS and a molecular weight of 284.34 g/mol. Its IUPAC name is 3-[2-(6-methoxypyridazin-3-yl)-1,3-thiazol-4-yl]aniline.

Molecular Properties

Compound Name3-[2-(6-methoxypyridazin-3-yl)-1,3-thiazol-4-yl]aniline
PubChem CID103374862
Molecular FormulaC14H12N4OS
Molecular Weight284.34 g/mol
Exact Mass284.07
IUPAC Name3-[2-(6-methoxypyridazin-3-yl)-1,3-thiazol-4-yl]aniline
SMILESCOc1ccc(-c2nc(-c3cccc(N)c3)cs2)nn1
InChIInChI=1S/C14H12N4OS/c1-19-13-6-5-11(17-18-13)14-16-12(8-20-14)9-3-2-4-10(15)7-9/h2-8H,15H2,1H3
InChIKeyKTEVYRBEMMVGII-UHFFFAOYSA-N
XLogP2.86
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]aniline
CID 7148555
3-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline
CID 107504187
3-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]aniline
CID 43667884
4-(3-aminophenyl)-N,N-dimethyl-1,3-thiazol-2-amine
CID 46398312
5-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-2-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-2,4-diamine
CID 21357966
3-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]aniline
CID 43667919
6-(3-aminophenyl)-3-methoxypyridin-2-amine
CID 82556270
3-(4-pyridin-2-yl-1,3-thiazol-2-yl)aniline
CID 7148715
3-(4-methyl-1,3-thiazol-2-yl)aniline
CID 7148568
3-[2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-4-yl]aniline
CID 94760676
3-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]aniline
CID 43667895
3-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]aniline
CID 61308455

Frequently Asked Questions

What is the IUPAC name of 3-[2-(6-methoxypyridazin-3-yl)-1,3-thiazol-4-yl]aniline?
The IUPAC name of 3-[2-(6-methoxypyridazin-3-yl)-1,3-thiazol-4-yl]aniline (CID 103374862) is 3-[2-(6-methoxypyridazin-3-yl)-1,3-thiazol-4-yl]aniline.
What is the SMILES notation for 3-[2-(6-methoxypyridazin-3-yl)-1,3-thiazol-4-yl]aniline?
The canonical SMILES for 3-[2-(6-methoxypyridazin-3-yl)-1,3-thiazol-4-yl]aniline is COc1ccc(-c2nc(-c3cccc(N)c3)cs2)nn1.
What is the InChIKey of 3-[2-(6-methoxypyridazin-3-yl)-1,3-thiazol-4-yl]aniline?
The InChIKey is KTEVYRBEMMVGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4OS/c1-19-13-6-5-11(17-18-13)14-16-12(8-20-14)9-3-2-4-10(15)7-9/h2-8H,15H2,1H3.
What are the key properties of 3-[2-(6-methoxypyridazin-3-yl)-1,3-thiazol-4-yl]aniline?
3-[2-(6-methoxypyridazin-3-yl)-1,3-thiazol-4-yl]aniline has a molecular weight of 284.34 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(6-methoxypyridazin-3-yl)-1,3-thiazol-4-yl]aniline is sourced from PubChem (CID 103374862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).