6-ethyl-N-(pyridazin-3-ylmethyl)-1,3-benzothiazol-2-amine

C14H14N4S — CID 162380372

IUPAC6-ethyl-N-(pyridazin-3-ylmethyl)-1,3-benzothiazol-2-amine
SMILESCCc1ccc2nc(NCc3cccnn3)sc2c1
InChIInChI=1S/C14H14N4S/c1-2-10-5-6-12-13(8-10)19-14(17-12)15-9-11-4-3-7-16-18-11/h3-8H,2,9H2,1H3,(H,15,17)
InChIKeyGNYDMTSZEJLYTJ-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.26
Rot. Bonds4

About 6-ethyl-N-(pyridazin-3-ylmethyl)-1,3-benzothiazol-2-amine

6-ethyl-N-(pyridazin-3-ylmethyl)-1,3-benzothiazol-2-amine (PubChem CID 162380372) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is 6-ethyl-N-(pyridazin-3-ylmethyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-ethyl-N-(pyridazin-3-ylmethyl)-1,3-benzothiazol-2-amine
PubChem CID162380372
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC Name6-ethyl-N-(pyridazin-3-ylmethyl)-1,3-benzothiazol-2-amine
SMILESCCc1ccc2nc(NCc3cccnn3)sc2c1
InChIInChI=1S/C14H14N4S/c1-2-10-5-6-12-13(8-10)19-14(17-12)15-9-11-4-3-7-16-18-11/h3-8H,2,9H2,1H3,(H,15,17)
InChIKeyGNYDMTSZEJLYTJ-UHFFFAOYSA-N
XLogP3.26
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethyl-N-[(2-methyl-3-pyridinyl)methyl]-1,3-benzothiazol-2-amine
CID 162380533
5-bromo-N-(pyridazin-3-ylmethyl)-1,3-benzothiazol-2-amine
CID 106896897
6-chloro-N-[(4-ethylphenyl)methyl]-1,3-benzothiazol-2-amine
CID 106900344
6-ethyl-N-pyridin-2-yl-1,3-benzothiazol-2-amine
CID 132581598
6-ethyl-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-1,3-benzothiazol-2-amine
CID 108775753
N,6-dibenzyl-1,3-benzothiazol-2-amine
CID 82548710
6-benzyl-N-ethyl-1,3-benzothiazol-2-amine
CID 82548714
N-(4,6-dimethylpyrimidin-2-yl)-6-ethyl-1,3-benzothiazol-2-amine
CID 108778357
N-[(4-fluorophenyl)methyl]-6-methyl-1,3-benzothiazol-2-amine
CID 71628497
6-ethyl-N-(3-methylquinoxalin-2-yl)-1,3-benzothiazol-2-amine
CID 108778366
1-N-(4,6-dimethylpyrimidin-2-yl)-4-N-(6-ethyl-1,3-benzothiazol-2-yl)benzene-1,4-diamine
CID 108777584
N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-ethyl-1,3-benzothiazol-2-amine
CID 108779484

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-(pyridazin-3-ylmethyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-ethyl-N-(pyridazin-3-ylmethyl)-1,3-benzothiazol-2-amine (CID 162380372) is 6-ethyl-N-(pyridazin-3-ylmethyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-ethyl-N-(pyridazin-3-ylmethyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-ethyl-N-(pyridazin-3-ylmethyl)-1,3-benzothiazol-2-amine is CCc1ccc2nc(NCc3cccnn3)sc2c1.
What is the InChIKey of 6-ethyl-N-(pyridazin-3-ylmethyl)-1,3-benzothiazol-2-amine?
The InChIKey is GNYDMTSZEJLYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S/c1-2-10-5-6-12-13(8-10)19-14(17-12)15-9-11-4-3-7-16-18-11/h3-8H,2,9H2,1H3,(H,15,17).
What are the key properties of 6-ethyl-N-(pyridazin-3-ylmethyl)-1,3-benzothiazol-2-amine?
6-ethyl-N-(pyridazin-3-ylmethyl)-1,3-benzothiazol-2-amine has a molecular weight of 270.36 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-(pyridazin-3-ylmethyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 162380372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).