N-[1-(3-methoxyphenyl)ethyl]-2-methyl-1,3-benzothiazol-6-amine

C17H18N2OS — CID 43682691

IUPACN-[1-(3-methoxyphenyl)ethyl]-2-methyl-1,3-benzothiazol-6-amine
SMILESCOc1cccc(C(C)Nc2ccc3nc(C)sc3c2)c1
InChIInChI=1S/C17H18N2OS/c1-11(13-5-4-6-15(9-13)20-3)18-14-7-8-16-17(10-14)21-12(2)19-16/h4-11,18H,1-3H3
InChIKeyUYERHARGXJXOMP-UHFFFAOYSA-N
MW298.41 g/mol
LogP4.79
Rot. Bonds4

About N-[1-(3-methoxyphenyl)ethyl]-2-methyl-1,3-benzothiazol-6-amine

N-[1-(3-methoxyphenyl)ethyl]-2-methyl-1,3-benzothiazol-6-amine (PubChem CID 43682691) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[1-(3-methoxyphenyl)ethyl]-2-methyl-1,3-benzothiazol-6-amine.

Molecular Properties

Compound NameN-[1-(3-methoxyphenyl)ethyl]-2-methyl-1,3-benzothiazol-6-amine
PubChem CID43682691
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC NameN-[1-(3-methoxyphenyl)ethyl]-2-methyl-1,3-benzothiazol-6-amine
SMILESCOc1cccc(C(C)Nc2ccc3nc(C)sc3c2)c1
InChIInChI=1S/C17H18N2OS/c1-11(13-5-4-6-15(9-13)20-3)18-14-7-8-16-17(10-14)21-12(2)19-16/h4-11,18H,1-3H3
InChIKeyUYERHARGXJXOMP-UHFFFAOYSA-N
XLogP4.79
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dichloro-N-[1-(3-methoxyphenyl)ethyl]aniline
CID 43108106
N-[1-(3-methoxyphenyl)ethyl]-1-benzothiophen-5-amine
CID 43687855
2-(3-methoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 2102300
N-[1-(furan-2-yl)ethyl]-2-methyl-1,3-benzothiazol-6-amine
CID 43682683
2-N-(2-methyl-1,3-benzothiazol-6-yl)propane-1,2-diamine
CID 103388112
3-fluoro-4-methoxy-N-[1-(3-methoxyphenyl)ethyl]aniline
CID 43380564
2-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-6-amine
CID 47155576
(2R)-2-acetamido-3-(3-methoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 51966820
N-[(1S)-1-(3-fluoro-4-pyridinyl)ethyl]-2-methyl-1,3-benzothiazol-6-amine
CID 124735773
N-[1-(3-fluorophenyl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine
CID 79516719
1-N-[1-(3-methoxyphenyl)ethyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 43616993
N-[1-(2,4-dichlorophenyl)ethyl]-2-methyl-1,3-benzothiazol-6-amine
CID 43682693

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxyphenyl)ethyl]-2-methyl-1,3-benzothiazol-6-amine?
The IUPAC name of N-[1-(3-methoxyphenyl)ethyl]-2-methyl-1,3-benzothiazol-6-amine (CID 43682691) is N-[1-(3-methoxyphenyl)ethyl]-2-methyl-1,3-benzothiazol-6-amine.
What is the SMILES notation for N-[1-(3-methoxyphenyl)ethyl]-2-methyl-1,3-benzothiazol-6-amine?
The canonical SMILES for N-[1-(3-methoxyphenyl)ethyl]-2-methyl-1,3-benzothiazol-6-amine is COc1cccc(C(C)Nc2ccc3nc(C)sc3c2)c1.
What is the InChIKey of N-[1-(3-methoxyphenyl)ethyl]-2-methyl-1,3-benzothiazol-6-amine?
The InChIKey is UYERHARGXJXOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-11(13-5-4-6-15(9-13)20-3)18-14-7-8-16-17(10-14)21-12(2)19-16/h4-11,18H,1-3H3.
What are the key properties of N-[1-(3-methoxyphenyl)ethyl]-2-methyl-1,3-benzothiazol-6-amine?
N-[1-(3-methoxyphenyl)ethyl]-2-methyl-1,3-benzothiazol-6-amine has a molecular weight of 298.41 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxyphenyl)ethyl]-2-methyl-1,3-benzothiazol-6-amine is sourced from PubChem (CID 43682691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).