6-ethoxy-4,7-dimethyl-N-(2-phenylethyl)-1,3-benzothiazol-2-amine

C19H22N2OS — CID 82548656

IUPAC6-ethoxy-4,7-dimethyl-N-(2-phenylethyl)-1,3-benzothiazol-2-amine
SMILESCCOc1cc(C)c2nc(NCCc3ccccc3)sc2c1C
InChIInChI=1S/C19H22N2OS/c1-4-22-16-12-13(2)17-18(14(16)3)23-19(21-17)20-11-10-15-8-6-5-7-9-15/h5-9,12H,4,10-11H2,1-3H3,(H,20,21)
InChIKeyJSENQICJYQLBII-UHFFFAOYSA-N
MW326.47 g/mol
LogP4.97
Rot. Bonds6

About 6-ethoxy-4,7-dimethyl-N-(2-phenylethyl)-1,3-benzothiazol-2-amine

6-ethoxy-4,7-dimethyl-N-(2-phenylethyl)-1,3-benzothiazol-2-amine (PubChem CID 82548656) has the molecular formula C19H22N2OS and a molecular weight of 326.47 g/mol. Its IUPAC name is 6-ethoxy-4,7-dimethyl-N-(2-phenylethyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-ethoxy-4,7-dimethyl-N-(2-phenylethyl)-1,3-benzothiazol-2-amine
PubChem CID82548656
Molecular FormulaC19H22N2OS
Molecular Weight326.47 g/mol
Exact Mass326.15
IUPAC Name6-ethoxy-4,7-dimethyl-N-(2-phenylethyl)-1,3-benzothiazol-2-amine
SMILESCCOc1cc(C)c2nc(NCCc3ccccc3)sc2c1C
InChIInChI=1S/C19H22N2OS/c1-4-22-16-12-13(2)17-18(14(16)3)23-19(21-17)20-11-10-15-8-6-5-7-9-15/h5-9,12H,4,10-11H2,1-3H3,(H,20,21)
InChIKeyJSENQICJYQLBII-UHFFFAOYSA-N
XLogP4.97
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethoxy-N,4,7-trimethyl-1,3-benzothiazol-2-amine
CID 82548663
N-benzyl-6-methoxy-4,7-dimethyl-1,3-benzothiazol-2-amine
CID 82549040
4,7-dimethoxy-N-(2-phenylethyl)-1,3-benzothiazol-2-amine
CID 82549487
4,7-dimethyl-6-propan-2-yloxy-N-propyl-1,3-benzothiazol-2-amine
CID 82548668
3,4-diethoxy-N-(2-phenylethyl)aniline
CID 29291848
5-chloro-4-methyl-N-(2-phenylethyl)-1,3-benzothiazol-2-amine
CID 82549540
N-benzyl-4,6-diethoxy-1,3-benzothiazol-2-amine
CID 82549644
4-ethyl-6-methoxy-N-(2-phenylethyl)-1,3-benzothiazol-2-amine
CID 82548617
6-ethoxy-2-methyl-N-(2-phenylethyl)pyrimidin-4-amine
CID 66326268
N-benzyl-6-chloro-4-methoxy-7-methyl-1,3-benzothiazol-2-amine
CID 82549208
5-methyl-4-phenyl-N-(2-phenylethyl)-1,3-thiazol-2-amine;hydrobromide
CID 20558014
4-methyl-2-(2-phenylethylamino)-1,3-thiazole-5-carboxylic acid
CID 4961858

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4,7-dimethyl-N-(2-phenylethyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-ethoxy-4,7-dimethyl-N-(2-phenylethyl)-1,3-benzothiazol-2-amine (CID 82548656) is 6-ethoxy-4,7-dimethyl-N-(2-phenylethyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-ethoxy-4,7-dimethyl-N-(2-phenylethyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-ethoxy-4,7-dimethyl-N-(2-phenylethyl)-1,3-benzothiazol-2-amine is CCOc1cc(C)c2nc(NCCc3ccccc3)sc2c1C.
What is the InChIKey of 6-ethoxy-4,7-dimethyl-N-(2-phenylethyl)-1,3-benzothiazol-2-amine?
The InChIKey is JSENQICJYQLBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2OS/c1-4-22-16-12-13(2)17-18(14(16)3)23-19(21-17)20-11-10-15-8-6-5-7-9-15/h5-9,12H,4,10-11H2,1-3H3,(H,20,21).
What are the key properties of 6-ethoxy-4,7-dimethyl-N-(2-phenylethyl)-1,3-benzothiazol-2-amine?
6-ethoxy-4,7-dimethyl-N-(2-phenylethyl)-1,3-benzothiazol-2-amine has a molecular weight of 326.47 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-4,7-dimethyl-N-(2-phenylethyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 82548656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).