N-methyl-6-[(4-methylphenyl)methoxy]-1,3-benzothiazol-2-amine

C16H16N2OS — CID 82548439

IUPACN-methyl-6-[(4-methylphenyl)methoxy]-1,3-benzothiazol-2-amine
SMILESCNc1nc2ccc(OCc3ccc(C)cc3)cc2s1
InChIInChI=1S/C16H16N2OS/c1-11-3-5-12(6-4-11)10-19-13-7-8-14-15(9-13)20-16(17-2)18-14/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeySWAFQPMVEVUQON-UHFFFAOYSA-N
MW284.38 g/mol
LogP4.23
Rot. Bonds4

About N-methyl-6-[(4-methylphenyl)methoxy]-1,3-benzothiazol-2-amine

N-methyl-6-[(4-methylphenyl)methoxy]-1,3-benzothiazol-2-amine (PubChem CID 82548439) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is N-methyl-6-[(4-methylphenyl)methoxy]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-methyl-6-[(4-methylphenyl)methoxy]-1,3-benzothiazol-2-amine
PubChem CID82548439
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC NameN-methyl-6-[(4-methylphenyl)methoxy]-1,3-benzothiazol-2-amine
SMILESCNc1nc2ccc(OCc3ccc(C)cc3)cc2s1
InChIInChI=1S/C16H16N2OS/c1-11-3-5-12(6-4-11)10-19-13-7-8-14-15(9-13)20-16(17-2)18-14/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeySWAFQPMVEVUQON-UHFFFAOYSA-N
XLogP4.23
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-6-[(4-methylphenyl)methoxy]-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-methyl-6-phenylmethoxy-1,3-benzothiazol-2-amine
CID 82549612
4-[(2-methyl-1,3-benzothiazol-6-yl)oxymethyl]benzoic acid
CID 82189810
N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-ethyl-1,3-benzothiazol-2-amine
CID 108779484
6-[[4-(trideuteriomethoxy)phenyl]methoxy]-1,3-benzothiazole-2-carbonitrile
CID 59248628
N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-1,3-benzothiazol-2-amine
CID 3136850
(2S)-2-bromo-N-[6-[(4-fluorophenyl)methoxy]-1,3-benzothiazol-2-yl]butanamide
CID 28662332
4-methyl-N-(6-propoxy-1,3-benzothiazol-2-yl)benzamide
CID 19213723
6-[(4-fluorophenyl)methoxy]-1,3-benzothiazol-2-amine
CID 17244955
N-[6-(ethoxymethoxy)-1,3-benzothiazol-2-yl]-4-[2-(4-methylphenyl)ethyl]benzamide
CID 91239635
1-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene
CID 59641480
4-chloro-N-[6-[(4-fluorophenyl)methoxy]-1,3-benzothiazol-2-yl]butanamide
CID 17244934
N-(6-ethyl-1,3-benzothiazol-2-yl)-3-(4-methylphenoxy)propanamide
CID 108802853

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[(4-methylphenyl)methoxy]-1,3-benzothiazol-2-amine?
The IUPAC name of N-methyl-6-[(4-methylphenyl)methoxy]-1,3-benzothiazol-2-amine (CID 82548439) is N-methyl-6-[(4-methylphenyl)methoxy]-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-methyl-6-[(4-methylphenyl)methoxy]-1,3-benzothiazol-2-amine?
The canonical SMILES for N-methyl-6-[(4-methylphenyl)methoxy]-1,3-benzothiazol-2-amine is CNc1nc2ccc(OCc3ccc(C)cc3)cc2s1.
What is the InChIKey of N-methyl-6-[(4-methylphenyl)methoxy]-1,3-benzothiazol-2-amine?
The InChIKey is SWAFQPMVEVUQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-11-3-5-12(6-4-11)10-19-13-7-8-14-15(9-13)20-16(17-2)18-14/h3-9H,10H2,1-2H3,(H,17,18).
What are the key properties of N-methyl-6-[(4-methylphenyl)methoxy]-1,3-benzothiazol-2-amine?
N-methyl-6-[(4-methylphenyl)methoxy]-1,3-benzothiazol-2-amine has a molecular weight of 284.38 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[(4-methylphenyl)methoxy]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 82548439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).