acetaldehyde;6-(6-amino-3-pyridinyl)-N-methyl-1,3-benzothiazol-2-amine;ethane

C17H22N4OS — CID 143527879

IUPACacetaldehyde;6-(6-amino-3-pyridinyl)-N-methyl-1,3-benzothiazol-2-amine;ethane
SMILESCC.CC=O.CNc1nc2ccc(-c3ccc(N)nc3)cc2s1
InChIInChI=1S/C13H12N4S.C2H4O.C2H6/c1-15-13-17-10-4-2-8(6-11(10)18-13)9-3-5-12(14)16-7-9;1-2-3;1-2/h2-7H,1H3,(H2,14,16)(H,15,17);2H,1H3;1-2H3
InChIKeyJZDGCFZOBZTXKF-UHFFFAOYSA-N
MW330.46 g/mol
LogP4.21
Rot. Bonds2

About acetaldehyde;6-(6-amino-3-pyridinyl)-N-methyl-1,3-benzothiazol-2-amine;ethane

acetaldehyde;6-(6-amino-3-pyridinyl)-N-methyl-1,3-benzothiazol-2-amine;ethane (PubChem CID 143527879) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is acetaldehyde;6-(6-amino-3-pyridinyl)-N-methyl-1,3-benzothiazol-2-amine;ethane.

Molecular Properties

Compound Nameacetaldehyde;6-(6-amino-3-pyridinyl)-N-methyl-1,3-benzothiazol-2-amine;ethane
PubChem CID143527879
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC Nameacetaldehyde;6-(6-amino-3-pyridinyl)-N-methyl-1,3-benzothiazol-2-amine;ethane
SMILESCC.CC=O.CNc1nc2ccc(-c3ccc(N)nc3)cc2s1
InChIInChI=1S/C13H12N4S.C2H4O.C2H6/c1-15-13-17-10-4-2-8(6-11(10)18-13)9-3-5-12(14)16-7-9;1-2-3;1-2/h2-7H,1H3,(H2,14,16)(H,15,17);2H,1H3;1-2H3
InChIKeyJZDGCFZOBZTXKF-UHFFFAOYSA-N
XLogP4.21
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(2-methyl-1,3-benzothiazol-5-yl)pyridin-2-amine
CID 155505909
6-chloro-N-methyl-1,3-benzothiazol-2-amine
CID 10774358
2-[4-(6-amino-3-pyridinyl)phenyl]-1,3-benzothiazol-6-ol
CID 146253215
6-amino-N-(6-chloro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 62151620
6-[3-(methylamino)phenyl]-1,3-benzothiazol-2-amine
CID 116994111
N-methyl-6-[(4-methylphenyl)methoxy]-1,3-benzothiazol-2-amine
CID 82548439
[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-chloro-3-pyridinyl]-carboxycarbamic acid
CID 87557292
1-[2-(methylamino)-[1,3]thiazolo[4,5-c]pyridin-6-yl]ethanone
CID 130047694
6-butan-2-yl-N-methyl-1,3-benzothiazol-2-amine
CID 89039662
cyclohexyl 7-[2-(methylamino)-1,3-benzothiazol-6-yl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate
CID 167040577
6-[6-[ethyl(methyl)amino]-3-pyridinyl]-1,3-benzothiazol-2-amine
CID 122184471
3-[2-(methylamino)-1,3-benzothiazol-6-yl]propanoic acid
CID 82548532

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;6-(6-amino-3-pyridinyl)-N-methyl-1,3-benzothiazol-2-amine;ethane?
The IUPAC name of acetaldehyde;6-(6-amino-3-pyridinyl)-N-methyl-1,3-benzothiazol-2-amine;ethane (CID 143527879) is acetaldehyde;6-(6-amino-3-pyridinyl)-N-methyl-1,3-benzothiazol-2-amine;ethane.
What is the SMILES notation for acetaldehyde;6-(6-amino-3-pyridinyl)-N-methyl-1,3-benzothiazol-2-amine;ethane?
The canonical SMILES for acetaldehyde;6-(6-amino-3-pyridinyl)-N-methyl-1,3-benzothiazol-2-amine;ethane is CC.CC=O.CNc1nc2ccc(-c3ccc(N)nc3)cc2s1.
What is the InChIKey of acetaldehyde;6-(6-amino-3-pyridinyl)-N-methyl-1,3-benzothiazol-2-amine;ethane?
The InChIKey is JZDGCFZOBZTXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4S.C2H4O.C2H6/c1-15-13-17-10-4-2-8(6-11(10)18-13)9-3-5-12(14)16-7-9;1-2-3;1-2/h2-7H,1H3,(H2,14,16)(H,15,17);2H,1H3;1-2H3.
What are the key properties of acetaldehyde;6-(6-amino-3-pyridinyl)-N-methyl-1,3-benzothiazol-2-amine;ethane?
acetaldehyde;6-(6-amino-3-pyridinyl)-N-methyl-1,3-benzothiazol-2-amine;ethane has a molecular weight of 330.46 g/mol, XLogP of 4.21, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;6-(6-amino-3-pyridinyl)-N-methyl-1,3-benzothiazol-2-amine;ethane is sourced from PubChem (CID 143527879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).