N-benzyl-6-methoxy-4,7-dimethyl-1,3-benzothiazol-2-amine

C17H18N2OS — CID 82549040

IUPACN-benzyl-6-methoxy-4,7-dimethyl-1,3-benzothiazol-2-amine
SMILESCOc1cc(C)c2nc(NCc3ccccc3)sc2c1C
InChIInChI=1S/C17H18N2OS/c1-11-9-14(20-3)12(2)16-15(11)19-17(21-16)18-10-13-7-5-4-6-8-13/h4-9H,10H2,1-3H3,(H,18,19)
InChIKeyMZSSNSIHXJRQHS-UHFFFAOYSA-N
MW298.41 g/mol
LogP4.53
Rot. Bonds4

About N-benzyl-6-methoxy-4,7-dimethyl-1,3-benzothiazol-2-amine

N-benzyl-6-methoxy-4,7-dimethyl-1,3-benzothiazol-2-amine (PubChem CID 82549040) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is N-benzyl-6-methoxy-4,7-dimethyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-benzyl-6-methoxy-4,7-dimethyl-1,3-benzothiazol-2-amine
PubChem CID82549040
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC NameN-benzyl-6-methoxy-4,7-dimethyl-1,3-benzothiazol-2-amine
SMILESCOc1cc(C)c2nc(NCc3ccccc3)sc2c1C
InChIInChI=1S/C17H18N2OS/c1-11-9-14(20-3)12(2)16-15(11)19-17(21-16)18-10-13-7-5-4-6-8-13/h4-9H,10H2,1-3H3,(H,18,19)
InChIKeyMZSSNSIHXJRQHS-UHFFFAOYSA-N
XLogP4.53
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 ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-benzyl-6-methoxy-4,7-dimethyl-1,3-benzothiazol-2-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-benzyl-6-chloro-4-methoxy-7-methyl-1,3-benzothiazol-2-amine
CID 82549208
6-ethoxy-4,7-dimethyl-N-(2-phenylethyl)-1,3-benzothiazol-2-amine
CID 82548656
N-benzyl-4,6-dimethyl-1,3-benzothiazol-2-amine
CID 2376092
4,7-dimethoxy-N-(2-phenylethyl)-1,3-benzothiazol-2-amine
CID 82549487
N-benzyl-4,5-dimethoxy-2-methylaniline
CID 43230212
N-benzyl-4-methyl-6-propoxy-1,3-benzothiazol-2-amine
CID 82548811
N-benzyl-4,6-diethoxy-1,3-benzothiazol-2-amine
CID 82549644
N-benzyl-5-methoxy-1,3-benzothiazol-2-amine
CID 7208982
5-benzyl-4-(2,5-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine
CID 72707053
4,7-dimethyl-6-propan-2-yloxy-N-propyl-1,3-benzothiazol-2-amine
CID 82548668
4-[[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]methyl]-2-methoxyphenol chloride
CID 53352392
2-(benzylamino)-N-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 53152845

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-methoxy-4,7-dimethyl-1,3-benzothiazol-2-amine?
The IUPAC name of N-benzyl-6-methoxy-4,7-dimethyl-1,3-benzothiazol-2-amine (CID 82549040) is N-benzyl-6-methoxy-4,7-dimethyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-benzyl-6-methoxy-4,7-dimethyl-1,3-benzothiazol-2-amine?
The canonical SMILES for N-benzyl-6-methoxy-4,7-dimethyl-1,3-benzothiazol-2-amine is COc1cc(C)c2nc(NCc3ccccc3)sc2c1C.
What is the InChIKey of N-benzyl-6-methoxy-4,7-dimethyl-1,3-benzothiazol-2-amine?
The InChIKey is MZSSNSIHXJRQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-11-9-14(20-3)12(2)16-15(11)19-17(21-16)18-10-13-7-5-4-6-8-13/h4-9H,10H2,1-3H3,(H,18,19).
What are the key properties of N-benzyl-6-methoxy-4,7-dimethyl-1,3-benzothiazol-2-amine?
N-benzyl-6-methoxy-4,7-dimethyl-1,3-benzothiazol-2-amine has a molecular weight of 298.41 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-methoxy-4,7-dimethyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 82549040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).