4,7-dimethoxy-N-(2-phenylethyl)-1,3-benzothiazol-2-amine

C17H18N2O2S — CID 82549487

IUPAC4,7-dimethoxy-N-(2-phenylethyl)-1,3-benzothiazol-2-amine
SMILESCOc1ccc(OC)c2sc(NCCc3ccccc3)nc12
InChIInChI=1S/C17H18N2O2S/c1-20-13-8-9-14(21-2)16-15(13)19-17(22-16)18-11-10-12-6-4-3-5-7-12/h3-9H,10-11H2,1-2H3,(H,18,19)
InChIKeyVJPDQWIFQUICFW-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.97
Rot. Bonds6

About 4,7-dimethoxy-N-(2-phenylethyl)-1,3-benzothiazol-2-amine

4,7-dimethoxy-N-(2-phenylethyl)-1,3-benzothiazol-2-amine (PubChem CID 82549487) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is 4,7-dimethoxy-N-(2-phenylethyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name4,7-dimethoxy-N-(2-phenylethyl)-1,3-benzothiazol-2-amine
PubChem CID82549487
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name4,7-dimethoxy-N-(2-phenylethyl)-1,3-benzothiazol-2-amine
SMILESCOc1ccc(OC)c2sc(NCCc3ccccc3)nc12
InChIInChI=1S/C17H18N2O2S/c1-20-13-8-9-14(21-2)16-15(13)19-17(22-16)18-11-10-12-6-4-3-5-7-12/h3-9H,10-11H2,1-2H3,(H,18,19)
InChIKeyVJPDQWIFQUICFW-UHFFFAOYSA-N
XLogP3.97
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-6-methoxy-N-(2-phenylethyl)-1,3-benzothiazol-2-amine
CID 82548617
6-ethoxy-4,7-dimethyl-N-(2-phenylethyl)-1,3-benzothiazol-2-amine
CID 82548656
N-benzyl-6-chloro-4-methoxy-7-methyl-1,3-benzothiazol-2-amine
CID 82549208
4-methoxy-N-(2-methoxyethyl)-7-methyl-1,3-benzothiazol-2-amine
CID 82549536
5-methoxy-2-(2-phenylethylamino)-1,3-benzothiazole-6-carboxylic acid
CID 82548344
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)benzamide
CID 7192494
5-chloro-4-methyl-N-(2-phenylethyl)-1,3-benzothiazol-2-amine
CID 82549540
N-benzyl-6-methoxy-4,7-dimethyl-1,3-benzothiazol-2-amine
CID 82549040
5-methyl-4-phenyl-N-(2-phenylethyl)-1,3-thiazol-2-amine;hydrobromide
CID 20558014
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-phenylsulfanylacetamide
CID 7254756
4-methyl-2-(2-phenylethylamino)-1,3-thiazole-5-carboxylic acid
CID 4961858
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-phenoxypropanamide
CID 2150728

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethoxy-N-(2-phenylethyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 4,7-dimethoxy-N-(2-phenylethyl)-1,3-benzothiazol-2-amine (CID 82549487) is 4,7-dimethoxy-N-(2-phenylethyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 4,7-dimethoxy-N-(2-phenylethyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 4,7-dimethoxy-N-(2-phenylethyl)-1,3-benzothiazol-2-amine is COc1ccc(OC)c2sc(NCCc3ccccc3)nc12.
What is the InChIKey of 4,7-dimethoxy-N-(2-phenylethyl)-1,3-benzothiazol-2-amine?
The InChIKey is VJPDQWIFQUICFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-20-13-8-9-14(21-2)16-15(13)19-17(22-16)18-11-10-12-6-4-3-5-7-12/h3-9H,10-11H2,1-2H3,(H,18,19).
What are the key properties of 4,7-dimethoxy-N-(2-phenylethyl)-1,3-benzothiazol-2-amine?
4,7-dimethoxy-N-(2-phenylethyl)-1,3-benzothiazol-2-amine has a molecular weight of 314.41 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethoxy-N-(2-phenylethyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 82549487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).