N-[1-(4-ethoxyphenyl)ethyl]-1,3-benzothiazol-6-amine

C17H18N2OS — CID 107803950

IUPACN-[1-(4-ethoxyphenyl)ethyl]-1,3-benzothiazol-6-amine
SMILESCCOc1ccc(C(C)Nc2ccc3ncsc3c2)cc1
InChIInChI=1S/C17H18N2OS/c1-3-20-15-7-4-13(5-8-15)12(2)19-14-6-9-16-17(10-14)21-11-18-16/h4-12,19H,3H2,1-2H3
InChIKeyLLBZZQXFZPYFKX-UHFFFAOYSA-N
MW298.41 g/mol
LogP4.87
Rot. Bonds5

About N-[1-(4-ethoxyphenyl)ethyl]-1,3-benzothiazol-6-amine

N-[1-(4-ethoxyphenyl)ethyl]-1,3-benzothiazol-6-amine (PubChem CID 107803950) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[1-(4-ethoxyphenyl)ethyl]-1,3-benzothiazol-6-amine.

Molecular Properties

Compound NameN-[1-(4-ethoxyphenyl)ethyl]-1,3-benzothiazol-6-amine
PubChem CID107803950
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC NameN-[1-(4-ethoxyphenyl)ethyl]-1,3-benzothiazol-6-amine
SMILESCCOc1ccc(C(C)Nc2ccc3ncsc3c2)cc1
InChIInChI=1S/C17H18N2OS/c1-3-20-15-7-4-13(5-8-15)12(2)19-14-6-9-16-17(10-14)21-11-18-16/h4-12,19H,3H2,1-2H3
InChIKeyLLBZZQXFZPYFKX-UHFFFAOYSA-N
XLogP4.87
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[4-(dimethylamino)phenyl]ethyl]-1,3-benzothiazol-6-amine
CID 103936344
4-[1-(1,3-benzothiazol-6-ylamino)ethyl]-2-methoxyphenol
CID 107803903
N-(2-methylpentan-3-yl)-1,3-benzothiazol-6-amine
CID 107804012
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-benzothiazol-6-amine
CID 107803954
4-chloro-N-[1-(4-ethoxyphenyl)ethyl]-3-fluoroaniline
CID 43721449
N-(1-ethylsulfonylpropan-2-yl)-1,3-benzothiazol-6-amine
CID 103936349
N-[1-(4-ethoxyphenyl)ethyl]-4-ethylaniline
CID 43093553
N-[1-(4-ethylphenyl)propyl]-1,3-benzothiazol-6-amine
CID 107803713
N-[1-(4-ethoxyphenyl)ethyl]-2,3-dihydro-1H-inden-5-amine
CID 43104651
N-[1-(5-chlorothiophen-2-yl)ethyl]-1,3-benzothiazol-6-amine
CID 107803759
N-[1-(3-bromo-4-fluorophenyl)ethyl]-4-ethoxyaniline
CID 43757906
N-(1-methylsulfonylpropan-2-yl)-1,3-benzothiazol-6-amine
CID 113354920

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxyphenyl)ethyl]-1,3-benzothiazol-6-amine?
The IUPAC name of N-[1-(4-ethoxyphenyl)ethyl]-1,3-benzothiazol-6-amine (CID 107803950) is N-[1-(4-ethoxyphenyl)ethyl]-1,3-benzothiazol-6-amine.
What is the SMILES notation for N-[1-(4-ethoxyphenyl)ethyl]-1,3-benzothiazol-6-amine?
The canonical SMILES for N-[1-(4-ethoxyphenyl)ethyl]-1,3-benzothiazol-6-amine is CCOc1ccc(C(C)Nc2ccc3ncsc3c2)cc1.
What is the InChIKey of N-[1-(4-ethoxyphenyl)ethyl]-1,3-benzothiazol-6-amine?
The InChIKey is LLBZZQXFZPYFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-3-20-15-7-4-13(5-8-15)12(2)19-14-6-9-16-17(10-14)21-11-18-16/h4-12,19H,3H2,1-2H3.
What are the key properties of N-[1-(4-ethoxyphenyl)ethyl]-1,3-benzothiazol-6-amine?
N-[1-(4-ethoxyphenyl)ethyl]-1,3-benzothiazol-6-amine has a molecular weight of 298.41 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxyphenyl)ethyl]-1,3-benzothiazol-6-amine is sourced from PubChem (CID 107803950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).