N-[1-(4-methoxyphenyl)ethyl]-5-methyl-1,3-benzothiazol-2-amine

C17H18N2OS — CID 66241808

IUPACN-[1-(4-methoxyphenyl)ethyl]-5-methyl-1,3-benzothiazol-2-amine
SMILESCOc1ccc(C(C)Nc2nc3cc(C)ccc3s2)cc1
InChIInChI=1S/C17H18N2OS/c1-11-4-9-16-15(10-11)19-17(21-16)18-12(2)13-5-7-14(20-3)8-6-13/h4-10,12H,1-3H3,(H,18,19)
InChIKeyGFWDUSIGLTWKPK-UHFFFAOYSA-N
MW298.41 g/mol
LogP4.79
Rot. Bonds4

About N-[1-(4-methoxyphenyl)ethyl]-5-methyl-1,3-benzothiazol-2-amine

N-[1-(4-methoxyphenyl)ethyl]-5-methyl-1,3-benzothiazol-2-amine (PubChem CID 66241808) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)ethyl]-5-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)ethyl]-5-methyl-1,3-benzothiazol-2-amine
PubChem CID66241808
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC NameN-[1-(4-methoxyphenyl)ethyl]-5-methyl-1,3-benzothiazol-2-amine
SMILESCOc1ccc(C(C)Nc2nc3cc(C)ccc3s2)cc1
InChIInChI=1S/C17H18N2OS/c1-11-4-9-16-15(10-11)19-17(21-16)18-12(2)13-5-7-14(20-3)8-6-13/h4-10,12H,1-3H3,(H,18,19)
InChIKeyGFWDUSIGLTWKPK-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

6-methyl-N-(1-phenylethyl)-1,3-benzothiazol-2-amine
CID 78908879
N-[1-(4-chlorophenyl)ethyl]-6-methyl-1,3-benzothiazol-2-amine
CID 79142758
N-[1-(3-fluorophenyl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine
CID 79516719
N-[(1S)-1-phenylethyl]-1,3-benzothiazol-2-amine
CID 28533165
5-chloro-N-(1-pyridin-4-ylethyl)-1,3-benzothiazol-2-amine
CID 43524200
6-methoxy-N-propan-2-yl-1,3-benzothiazol-2-amine
CID 78908950
1-N-[1-(4-methoxyphenyl)ethyl]-4-methylbenzene-1,2-diamine
CID 66197182
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine
CID 79513905
6-methyl-N-(1-pyridin-3-ylethyl)-1,3-benzothiazol-2-amine
CID 79142414
N-[1-(4-bromophenyl)ethyl]-1,3-benzothiazol-2-amine
CID 60658936
N-[1-(4-methoxyphenyl)ethyl]-5-methylpyridin-2-amine
CID 66244498
5-methyl-N-(1-thiophen-3-ylpropan-2-yl)-1,3-benzothiazol-2-amine
CID 63545519

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-5-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-5-methyl-1,3-benzothiazol-2-amine (CID 66241808) is N-[1-(4-methoxyphenyl)ethyl]-5-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[1-(4-methoxyphenyl)ethyl]-5-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[1-(4-methoxyphenyl)ethyl]-5-methyl-1,3-benzothiazol-2-amine is COc1ccc(C(C)Nc2nc3cc(C)ccc3s2)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)ethyl]-5-methyl-1,3-benzothiazol-2-amine?
The InChIKey is GFWDUSIGLTWKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-11-4-9-16-15(10-11)19-17(21-16)18-12(2)13-5-7-14(20-3)8-6-13/h4-10,12H,1-3H3,(H,18,19).
What are the key properties of N-[1-(4-methoxyphenyl)ethyl]-5-methyl-1,3-benzothiazol-2-amine?
N-[1-(4-methoxyphenyl)ethyl]-5-methyl-1,3-benzothiazol-2-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-(4-methoxyphenyl)ethyl]-5-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 66241808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).