1-(1,3-benzothiazol-2-yl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine

C15H16N4S — CID 62846238

IUPAC1-(1,3-benzothiazol-2-yl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine
SMILESCc1cnc(CNC(C)c2nc3ccccc3s2)cn1
InChIInChI=1S/C15H16N4S/c1-10-7-18-12(8-16-10)9-17-11(2)15-19-13-5-3-4-6-14(13)20-15/h3-8,11,17H,9H2,1-2H3
InChIKeyYLHXIVFMFJTBFM-UHFFFAOYSA-N
MW284.39 g/mol
LogP3.25
Rot. Bonds4

About 1-(1,3-benzothiazol-2-yl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine

1-(1,3-benzothiazol-2-yl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine (PubChem CID 62846238) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine
PubChem CID62846238
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC Name1-(1,3-benzothiazol-2-yl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine
SMILESCc1cnc(CNC(C)c2nc3ccccc3s2)cn1
InChIInChI=1S/C15H16N4S/c1-10-7-18-12(8-16-10)9-17-11(2)15-19-13-5-3-4-6-14(13)20-15/h3-8,11,17H,9H2,1-2H3
InChIKeyYLHXIVFMFJTBFM-UHFFFAOYSA-N
XLogP3.25
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-benzothiazol-2-yl)-N-(pyridazin-3-ylmethyl)ethanamine
CID 106895025
1-(1,3-benzothiazol-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 54896322
1-(1,3-benzothiazol-2-yl)-N-[(3-chlorophenyl)methyl]ethanamine
CID 60671755
1-(1,3-benzothiazol-2-yl)-N-(2-methylsulfanylethyl)ethanamine
CID 60672734
1-(1,3-benzothiazol-2-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 103777122
1-(5-bromothiophen-2-yl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine
CID 62846814
1-(1,3-benzothiazol-2-yl)-N-(2-cyclopentylethyl)ethanamine
CID 54932145
1-(1,3-benzothiazol-2-yl)-N-(thian-4-ylmethyl)ethanamine
CID 115719986
N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-4-(2-methylimidazol-1-yl)butan-1-amine
CID 97232749
N-[1-(1,3-benzothiazol-2-yl)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 43179013
1-[[1-(1,3-benzothiazol-2-yl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 78914354
1-(1,3-benzothiazol-2-yl)-N-[(1-methylsulfanylcyclopropyl)methyl]ethanamine
CID 107270126

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine (CID 62846238) is 1-(1,3-benzothiazol-2-yl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine is Cc1cnc(CNC(C)c2nc3ccccc3s2)cn1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine?
The InChIKey is YLHXIVFMFJTBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-10-7-18-12(8-16-10)9-17-11(2)15-19-13-5-3-4-6-14(13)20-15/h3-8,11,17H,9H2,1-2H3.
What are the key properties of 1-(1,3-benzothiazol-2-yl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine?
1-(1,3-benzothiazol-2-yl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine has a molecular weight of 284.39 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine is sourced from PubChem (CID 62846238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).