2-(3-ethyl-6-methylpyridazin-4-yl)-1,3-benzothiazol-6-amine

C14H14N4S — CID 104673194

IUPAC2-(3-ethyl-6-methylpyridazin-4-yl)-1,3-benzothiazol-6-amine
SMILESCCc1nnc(C)cc1-c1nc2ccc(N)cc2s1
InChIInChI=1S/C14H14N4S/c1-3-11-10(6-8(2)17-18-11)14-16-12-5-4-9(15)7-13(12)19-14/h4-7H,3,15H2,1-2H3
InChIKeySQFKIIMXSZRCQL-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.21
Rot. Bonds2

About 2-(3-ethyl-6-methylpyridazin-4-yl)-1,3-benzothiazol-6-amine

2-(3-ethyl-6-methylpyridazin-4-yl)-1,3-benzothiazol-6-amine (PubChem CID 104673194) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is 2-(3-ethyl-6-methylpyridazin-4-yl)-1,3-benzothiazol-6-amine.

Molecular Properties

Compound Name2-(3-ethyl-6-methylpyridazin-4-yl)-1,3-benzothiazol-6-amine
PubChem CID104673194
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC Name2-(3-ethyl-6-methylpyridazin-4-yl)-1,3-benzothiazol-6-amine
SMILESCCc1nnc(C)cc1-c1nc2ccc(N)cc2s1
InChIInChI=1S/C14H14N4S/c1-3-11-10(6-8(2)17-18-11)14-16-12-5-4-9(15)7-13(12)19-14/h4-7H,3,15H2,1-2H3
InChIKeySQFKIIMXSZRCQL-UHFFFAOYSA-N
XLogP3.21
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(6-amino-1,3-benzothiazol-2-yl)phenyl]-1,3-benzothiazol-6-amine
CID 4649602
2-(4-methylphenyl)-1,3-benzothiazol-5-amine
CID 67331050
3-fluoro-4-(6-methyl-1,3-benzothiazol-2-yl)aniline
CID 114002272
2-(1,3-diethylpyrazol-5-yl)-1,3-benzothiazol-6-amine
CID 66203630
2-(2,3,4,5,6-pentafluorophenyl)-1,3-benzothiazol-6-amine
CID 66201699
2-[3-(6-amino-1,3-benzothiazol-2-yl)phenyl]-1,3-benzothiazol-6-amine
CID 3147179
2-(4-methyl-1,3-thiazol-5-yl)-1,3-benzothiazol-6-amine
CID 66202476
CID 143962463
CID 143962463
2-(1-methylpyrazol-4-yl)-1,3-benzothiazol-6-amine
CID 66201319
2-(3-bromo-5-methylphenyl)-1,3-benzothiazol-6-amine
CID 113461111
ethyl 2-(6-amino-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxylate
CID 132544425
2-(4-chlorophenyl)-1,3-benzothiazol-6-amine
CID 4130152

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-6-methylpyridazin-4-yl)-1,3-benzothiazol-6-amine?
The IUPAC name of 2-(3-ethyl-6-methylpyridazin-4-yl)-1,3-benzothiazol-6-amine (CID 104673194) is 2-(3-ethyl-6-methylpyridazin-4-yl)-1,3-benzothiazol-6-amine.
What is the SMILES notation for 2-(3-ethyl-6-methylpyridazin-4-yl)-1,3-benzothiazol-6-amine?
The canonical SMILES for 2-(3-ethyl-6-methylpyridazin-4-yl)-1,3-benzothiazol-6-amine is CCc1nnc(C)cc1-c1nc2ccc(N)cc2s1.
What is the InChIKey of 2-(3-ethyl-6-methylpyridazin-4-yl)-1,3-benzothiazol-6-amine?
The InChIKey is SQFKIIMXSZRCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S/c1-3-11-10(6-8(2)17-18-11)14-16-12-5-4-9(15)7-13(12)19-14/h4-7H,3,15H2,1-2H3.
What are the key properties of 2-(3-ethyl-6-methylpyridazin-4-yl)-1,3-benzothiazol-6-amine?
2-(3-ethyl-6-methylpyridazin-4-yl)-1,3-benzothiazol-6-amine has a molecular weight of 270.36 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-6-methylpyridazin-4-yl)-1,3-benzothiazol-6-amine is sourced from PubChem (CID 104673194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).