N-[2-(4-methoxyphenyl)ethyl]-1,3-benzothiazol-6-amine

C16H16N2OS — CID 103731094

IUPACN-[2-(4-methoxyphenyl)ethyl]-1,3-benzothiazol-6-amine
SMILESCOc1ccc(CCNc2ccc3ncsc3c2)cc1
InChIInChI=1S/C16H16N2OS/c1-19-14-5-2-12(3-6-14)8-9-17-13-4-7-15-16(10-13)20-11-18-15/h2-7,10-11,17H,8-9H2,1H3
InChIKeySWAXIKCPXWFUKK-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.96
Rot. Bonds5

About N-[2-(4-methoxyphenyl)ethyl]-1,3-benzothiazol-6-amine

N-[2-(4-methoxyphenyl)ethyl]-1,3-benzothiazol-6-amine (PubChem CID 103731094) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-1,3-benzothiazol-6-amine.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-1,3-benzothiazol-6-amine
PubChem CID103731094
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-1,3-benzothiazol-6-amine
SMILESCOc1ccc(CCNc2ccc3ncsc3c2)cc1
InChIInChI=1S/C16H16N2OS/c1-19-14-5-2-12(3-6-14)8-9-17-13-4-7-15-16(10-13)20-11-18-15/h2-7,10-11,17H,8-9H2,1H3
InChIKeySWAXIKCPXWFUKK-UHFFFAOYSA-N
XLogP3.96
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-methoxyphenyl)ethyl]-1,3-benzothiazol-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,3-dimethylbutyl)-1,3-benzothiazol-6-amine
CID 107803721
N-(2-ethoxyethyl)-1,3-benzothiazol-6-amine
CID 107804703
N-[(4-methoxy-3-methylphenyl)methyl]-1,3-benzothiazol-6-amine
CID 103818846
methyl 4-(1,3-benzothiazol-6-ylamino)butanoate
CID 107804839
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-1,3-benzothiazol-6-amine
CID 107803867
6-(4-methoxyphenyl)-1,3-benzothiazole
CID 91124365
N-[(4-methylphenyl)methyl]-1,3-benzothiazol-6-amine
CID 103818874
N-methoxy-1,3-benzothiazol-6-amine
CID 90120001
N-[2-(4-methoxyphenyl)ethyl]-3-methylaniline
CID 54763230
N-[2-(4-methoxyphenyl)ethyl]-4-propylaniline
CID 65429365
4-N-(4-methoxyphenyl)-6-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112874321
5-(1,3-benzothiazol-6-ylamino)pentan-1-ol
CID 103868012

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-1,3-benzothiazol-6-amine?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-1,3-benzothiazol-6-amine (CID 103731094) is N-[2-(4-methoxyphenyl)ethyl]-1,3-benzothiazol-6-amine.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-1,3-benzothiazol-6-amine?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-1,3-benzothiazol-6-amine is COc1ccc(CCNc2ccc3ncsc3c2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-1,3-benzothiazol-6-amine?
The InChIKey is SWAXIKCPXWFUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-19-14-5-2-12(3-6-14)8-9-17-13-4-7-15-16(10-13)20-11-18-15/h2-7,10-11,17H,8-9H2,1H3.
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-1,3-benzothiazol-6-amine?
N-[2-(4-methoxyphenyl)ethyl]-1,3-benzothiazol-6-amine has a molecular weight of 284.38 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-1,3-benzothiazol-6-amine is sourced from PubChem (CID 103731094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).