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

C17H18N2OS — CID 43231044

IUPACN-[(2-ethoxyphenyl)methyl]-2-methyl-1,3-benzothiazol-6-amine
SMILESCCOc1ccccc1CNc1ccc2nc(C)sc2c1
InChIInChI=1S/C17H18N2OS/c1-3-20-16-7-5-4-6-13(16)11-18-14-8-9-15-17(10-14)21-12(2)19-15/h4-10,18H,3,11H2,1-2H3
InChIKeyAEIOXQBUADKIAZ-UHFFFAOYSA-N
MW298.41 g/mol
LogP4.62
Rot. Bonds5

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

N-[(2-ethoxyphenyl)methyl]-2-methyl-1,3-benzothiazol-6-amine (PubChem CID 43231044) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-2-methyl-1,3-benzothiazol-6-amine.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-2-methyl-1,3-benzothiazol-6-amine
PubChem CID43231044
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC NameN-[(2-ethoxyphenyl)methyl]-2-methyl-1,3-benzothiazol-6-amine
SMILESCCOc1ccccc1CNc1ccc2nc(C)sc2c1
InChIInChI=1S/C17H18N2OS/c1-3-20-16-7-5-4-6-13(16)11-18-14-8-9-15-17(10-14)21-12(2)19-15/h4-10,18H,3,11H2,1-2H3
InChIKeyAEIOXQBUADKIAZ-UHFFFAOYSA-N
XLogP4.62
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 ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-ethoxyphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine
CID 43746372
2-methyl-N-(pyridin-2-ylmethyl)-1,3-benzothiazol-6-amine
CID 43682641
N-[(2,4-difluorophenyl)methyl]-2-methyl-1,3-benzothiazol-6-amine
CID 43682594
4-bromo-N-[(2-ethoxyphenyl)methyl]-3-methylaniline
CID 28546731
N-[(2-ethoxyphenyl)methyl]quinolin-3-amine
CID 43691162
N-[(5-chloro-2-fluorophenyl)methyl]-2-methyl-1,3-benzothiazol-6-amine
CID 114841659
2-chloro-4-[(2-ethoxyphenyl)methylamino]phenol
CID 107678736
N-[(4-bromo-2-fluorophenyl)methyl]-2-methyl-1,3-benzothiazol-6-amine
CID 43230996
4-chloro-N-[(2-ethoxyphenyl)methyl]aniline
CID 900682
3-[[(2-methyl-1,3-benzothiazol-6-yl)amino]methyl]phenol
CID 43682648
N-(ethyldiazenyl)-2-methyl-1,3-benzothiazol-6-amine
CID 19154623
N-[(2-ethoxyphenyl)methyl]-3-fluoroaniline
CID 23793082

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-2-methyl-1,3-benzothiazol-6-amine?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-2-methyl-1,3-benzothiazol-6-amine (CID 43231044) is N-[(2-ethoxyphenyl)methyl]-2-methyl-1,3-benzothiazol-6-amine.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-2-methyl-1,3-benzothiazol-6-amine?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-2-methyl-1,3-benzothiazol-6-amine is CCOc1ccccc1CNc1ccc2nc(C)sc2c1.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-2-methyl-1,3-benzothiazol-6-amine?
The InChIKey is AEIOXQBUADKIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-3-20-16-7-5-4-6-13(16)11-18-14-8-9-15-17(10-14)21-12(2)19-15/h4-10,18H,3,11H2,1-2H3.
What are the key properties of N-[(2-ethoxyphenyl)methyl]-2-methyl-1,3-benzothiazol-6-amine?
N-[(2-ethoxyphenyl)methyl]-2-methyl-1,3-benzothiazol-6-amine has a molecular weight of 298.41 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-2-methyl-1,3-benzothiazol-6-amine is sourced from PubChem (CID 43231044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).