N-ethyl-6-[(2-methyl-1,3-benzothiazol-5-yl)oxy]pyridazin-3-amine

C14H14N4OS — CID 139599377

IUPACN-ethyl-6-[(2-methyl-1,3-benzothiazol-5-yl)oxy]pyridazin-3-amine
SMILESCCNc1ccc(Oc2ccc3sc(C)nc3c2)nn1
InChIInChI=1S/C14H14N4OS/c1-3-15-13-6-7-14(18-17-13)19-10-4-5-12-11(8-10)16-9(2)20-12/h4-8H,3H2,1-2H3,(H,15,17)
InChIKeyQMLWXIMRPDKVLH-UHFFFAOYSA-N
MW286.36 g/mol
LogP3.62
Rot. Bonds4

About N-ethyl-6-[(2-methyl-1,3-benzothiazol-5-yl)oxy]pyridazin-3-amine

N-ethyl-6-[(2-methyl-1,3-benzothiazol-5-yl)oxy]pyridazin-3-amine (PubChem CID 139599377) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is N-ethyl-6-[(2-methyl-1,3-benzothiazol-5-yl)oxy]pyridazin-3-amine.

Molecular Properties

Compound NameN-ethyl-6-[(2-methyl-1,3-benzothiazol-5-yl)oxy]pyridazin-3-amine
PubChem CID139599377
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC NameN-ethyl-6-[(2-methyl-1,3-benzothiazol-5-yl)oxy]pyridazin-3-amine
SMILESCCNc1ccc(Oc2ccc3sc(C)nc3c2)nn1
InChIInChI=1S/C14H14N4OS/c1-3-15-13-6-7-14(18-17-13)19-10-4-5-12-11(8-10)16-9(2)20-12/h4-8H,3H2,1-2H3,(H,15,17)
InChIKeyQMLWXIMRPDKVLH-UHFFFAOYSA-N
XLogP3.62
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-ethoxy-2-methyl-1,3-benzothiazole
CID 832782
2-methyl-5-[(2-methylpropan-2-yl)oxy]-1,3-benzothiazole
CID 89461022
2-methyl-5-pyrimidin-5-yloxy-1,3-benzothiazole
CID 138807740
ethane;5-methoxy-2-methyl-1,3-benzothiazole
CID 142881099
(1R)-1-[4-ethyl-5-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-1,2,4-triazol-3-yl]ethanamine
CID 58499934
2-methyl-N-propyl-1,3-benzothiazol-5-amine
CID 82672114
hydroxy-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-sulfanylidene-λ4-sulfane
CID 58683338
3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]pyridin-2-amine
CID 139598514
ethyl 6-[(2-methyl-1,3-benzothiazol-5-yl)oxy]hexanoate
CID 177166236
5-[(4-chlorophenyl)methoxy]-2-methyl-1,3-benzothiazole
CID 171855018
sodium 2-methyl-5-sulfidosulfinyloxy-1,3-benzothiazole
CID 58683337
6-(3,4-dichlorophenoxy)-N-ethylpyridin-2-amine
CID 80874477

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[(2-methyl-1,3-benzothiazol-5-yl)oxy]pyridazin-3-amine?
The IUPAC name of N-ethyl-6-[(2-methyl-1,3-benzothiazol-5-yl)oxy]pyridazin-3-amine (CID 139599377) is N-ethyl-6-[(2-methyl-1,3-benzothiazol-5-yl)oxy]pyridazin-3-amine.
What is the SMILES notation for N-ethyl-6-[(2-methyl-1,3-benzothiazol-5-yl)oxy]pyridazin-3-amine?
The canonical SMILES for N-ethyl-6-[(2-methyl-1,3-benzothiazol-5-yl)oxy]pyridazin-3-amine is CCNc1ccc(Oc2ccc3sc(C)nc3c2)nn1.
What is the InChIKey of N-ethyl-6-[(2-methyl-1,3-benzothiazol-5-yl)oxy]pyridazin-3-amine?
The InChIKey is QMLWXIMRPDKVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS/c1-3-15-13-6-7-14(18-17-13)19-10-4-5-12-11(8-10)16-9(2)20-12/h4-8H,3H2,1-2H3,(H,15,17).
What are the key properties of N-ethyl-6-[(2-methyl-1,3-benzothiazol-5-yl)oxy]pyridazin-3-amine?
N-ethyl-6-[(2-methyl-1,3-benzothiazol-5-yl)oxy]pyridazin-3-amine has a molecular weight of 286.36 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[(2-methyl-1,3-benzothiazol-5-yl)oxy]pyridazin-3-amine is sourced from PubChem (CID 139599377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).