4-ethyl-6-methoxy-N-(2-phenylethyl)-1,3-benzothiazol-2-amine

C18H20N2OS — CID 82548617

IUPAC4-ethyl-6-methoxy-N-(2-phenylethyl)-1,3-benzothiazol-2-amine
SMILESCCc1cc(OC)cc2sc(NCCc3ccccc3)nc12
InChIInChI=1S/C18H20N2OS/c1-3-14-11-15(21-2)12-16-17(14)20-18(22-16)19-10-9-13-7-5-4-6-8-13/h4-8,11-12H,3,9-10H2,1-2H3,(H,19,20)
InChIKeyCZOWLTHIAFHRHR-UHFFFAOYSA-N
MW312.44 g/mol
LogP4.52
Rot. Bonds6

About 4-ethyl-6-methoxy-N-(2-phenylethyl)-1,3-benzothiazol-2-amine

4-ethyl-6-methoxy-N-(2-phenylethyl)-1,3-benzothiazol-2-amine (PubChem CID 82548617) has the molecular formula C18H20N2OS and a molecular weight of 312.44 g/mol. Its IUPAC name is 4-ethyl-6-methoxy-N-(2-phenylethyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name4-ethyl-6-methoxy-N-(2-phenylethyl)-1,3-benzothiazol-2-amine
PubChem CID82548617
Molecular FormulaC18H20N2OS
Molecular Weight312.44 g/mol
Exact Mass312.13
IUPAC Name4-ethyl-6-methoxy-N-(2-phenylethyl)-1,3-benzothiazol-2-amine
SMILESCCc1cc(OC)cc2sc(NCCc3ccccc3)nc12
InChIInChI=1S/C18H20N2OS/c1-3-14-11-15(21-2)12-16-17(14)20-18(22-16)19-10-9-13-7-5-4-6-8-13/h4-8,11-12H,3,9-10H2,1-2H3,(H,19,20)
InChIKeyCZOWLTHIAFHRHR-UHFFFAOYSA-N
XLogP4.52
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,7-dimethoxy-N-(2-phenylethyl)-1,3-benzothiazol-2-amine
CID 82549487
N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-phenylacetamide
CID 4557888
N-[2-(4-methoxyphenyl)ethyl]-4-methylsulfonyl-1,3-benzothiazol-2-amine
CID 155801332
5-methoxy-2-(2-phenylethylamino)-1,3-benzothiazole-6-carboxylic acid
CID 82548344
5-chloro-4-methyl-N-(2-phenylethyl)-1,3-benzothiazol-2-amine
CID 82549540
N-benzyl-5-methoxy-1,3-benzothiazol-2-amine
CID 7208982
6-ethylsulfanyl-N-(2-phenylethyl)-1,3-benzothiazol-2-amine
CID 82548837
6-ethoxy-4,7-dimethyl-N-(2-phenylethyl)-1,3-benzothiazol-2-amine
CID 82548656
4-methyl-2-(2-phenylethylamino)-1,3-thiazole-5-carboxylic acid
CID 4961858
N-(2-phenylethyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzothiazol-2-amine
CID 82548504
2-[2-(3-methoxyphenyl)ethylamino]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 107856368
N-benzyl-4,6-diethoxy-1,3-benzothiazol-2-amine
CID 82549644

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-methoxy-N-(2-phenylethyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 4-ethyl-6-methoxy-N-(2-phenylethyl)-1,3-benzothiazol-2-amine (CID 82548617) is 4-ethyl-6-methoxy-N-(2-phenylethyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 4-ethyl-6-methoxy-N-(2-phenylethyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 4-ethyl-6-methoxy-N-(2-phenylethyl)-1,3-benzothiazol-2-amine is CCc1cc(OC)cc2sc(NCCc3ccccc3)nc12.
What is the InChIKey of 4-ethyl-6-methoxy-N-(2-phenylethyl)-1,3-benzothiazol-2-amine?
The InChIKey is CZOWLTHIAFHRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2OS/c1-3-14-11-15(21-2)12-16-17(14)20-18(22-16)19-10-9-13-7-5-4-6-8-13/h4-8,11-12H,3,9-10H2,1-2H3,(H,19,20).
What are the key properties of 4-ethyl-6-methoxy-N-(2-phenylethyl)-1,3-benzothiazol-2-amine?
4-ethyl-6-methoxy-N-(2-phenylethyl)-1,3-benzothiazol-2-amine has a molecular weight of 312.44 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-methoxy-N-(2-phenylethyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 82548617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).