N-benzyl-4,6-diethoxy-1,3-benzothiazol-2-amine

C18H20N2O2S — CID 82549644

IUPACN-benzyl-4,6-diethoxy-1,3-benzothiazol-2-amine
SMILESCCOc1cc(OCC)c2nc(NCc3ccccc3)sc2c1
InChIInChI=1S/C18H20N2O2S/c1-3-21-14-10-15(22-4-2)17-16(11-14)23-18(20-17)19-12-13-8-6-5-7-9-13/h5-11H,3-4,12H2,1-2H3,(H,19,20)
InChIKeyYBFDXIXMKUOJTR-UHFFFAOYSA-N
MW328.44 g/mol
LogP4.71
Rot. Bonds7

About N-benzyl-4,6-diethoxy-1,3-benzothiazol-2-amine

N-benzyl-4,6-diethoxy-1,3-benzothiazol-2-amine (PubChem CID 82549644) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-benzyl-4,6-diethoxy-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-benzyl-4,6-diethoxy-1,3-benzothiazol-2-amine
PubChem CID82549644
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC NameN-benzyl-4,6-diethoxy-1,3-benzothiazol-2-amine
SMILESCCOc1cc(OCC)c2nc(NCc3ccccc3)sc2c1
InChIInChI=1S/C18H20N2O2S/c1-3-21-14-10-15(22-4-2)17-16(11-14)23-18(20-17)19-12-13-8-6-5-7-9-13/h5-11H,3-4,12H2,1-2H3,(H,19,20)
InChIKeyYBFDXIXMKUOJTR-UHFFFAOYSA-N
XLogP4.71
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-4-methyl-6-propoxy-1,3-benzothiazol-2-amine
CID 82548811
N-benzyl-4,6-dimethyl-1,3-benzothiazol-2-amine
CID 2376092
N-benzyl-5-methoxy-1,3-benzothiazol-2-amine
CID 7208982
6-ethoxy-N-ethyl-4-methyl-1,3-benzothiazol-2-amine
CID 82548822
N-benzyl-6-methoxy-4,7-dimethyl-1,3-benzothiazol-2-amine
CID 82549040
5-ethoxy-N-propyl-[1,3]thiazolo[4,5-f]quinolin-2-amine
CID 96710401
4-bromo-6-ethoxy-N-propyl-1,3-benzothiazol-2-amine
CID 82549380
6-bromo-4-ethoxy-N-propyl-1,3-benzothiazol-2-amine
CID 82549346
6-ethoxy-4,7-dimethyl-N-(2-phenylethyl)-1,3-benzothiazol-2-amine
CID 82548656
N-benzyl-1,3-benzothiazol-2-amine
CID 617555
N-[(3-ethoxyphenyl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
CID 133317329
5-ethoxy-N-methyl-[1,3]thiazolo[4,5-f]quinolin-2-amine
CID 96710399

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4,6-diethoxy-1,3-benzothiazol-2-amine?
The IUPAC name of N-benzyl-4,6-diethoxy-1,3-benzothiazol-2-amine (CID 82549644) is N-benzyl-4,6-diethoxy-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-benzyl-4,6-diethoxy-1,3-benzothiazol-2-amine?
The canonical SMILES for N-benzyl-4,6-diethoxy-1,3-benzothiazol-2-amine is CCOc1cc(OCC)c2nc(NCc3ccccc3)sc2c1.
What is the InChIKey of N-benzyl-4,6-diethoxy-1,3-benzothiazol-2-amine?
The InChIKey is YBFDXIXMKUOJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-3-21-14-10-15(22-4-2)17-16(11-14)23-18(20-17)19-12-13-8-6-5-7-9-13/h5-11H,3-4,12H2,1-2H3,(H,19,20).
What are the key properties of N-benzyl-4,6-diethoxy-1,3-benzothiazol-2-amine?
N-benzyl-4,6-diethoxy-1,3-benzothiazol-2-amine has a molecular weight of 328.44 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4,6-diethoxy-1,3-benzothiazol-2-amine is sourced from PubChem (CID 82549644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).