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

C16H16N2OS — CID 79142914

IUPACN-[(2-methoxyphenyl)methyl]-6-methyl-1,3-benzothiazol-2-amine
SMILESCOc1ccccc1CNc1nc2ccc(C)cc2s1
InChIInChI=1S/C16H16N2OS/c1-11-7-8-13-15(9-11)20-16(18-13)17-10-12-5-3-4-6-14(12)19-2/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyCKPAPKRCKOBWCJ-UHFFFAOYSA-N
MW284.38 g/mol
LogP4.23
Rot. Bonds4

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

N-[(2-methoxyphenyl)methyl]-6-methyl-1,3-benzothiazol-2-amine (PubChem CID 79142914) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-6-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-6-methyl-1,3-benzothiazol-2-amine
PubChem CID79142914
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC NameN-[(2-methoxyphenyl)methyl]-6-methyl-1,3-benzothiazol-2-amine
SMILESCOc1ccccc1CNc1nc2ccc(C)cc2s1
InChIInChI=1S/C16H16N2OS/c1-11-7-8-13-15(9-11)20-16(18-13)17-10-12-5-3-4-6-14(12)19-2/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyCKPAPKRCKOBWCJ-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

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Related Compounds

N-[(6-methoxy-3-pyridinyl)methyl]-6-methyl-1,3-benzothiazol-2-amine
CID 79142176
N-[(4-fluorophenyl)methyl]-6-methyl-1,3-benzothiazol-2-amine
CID 71628497
N-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-amine
CID 78908863
N-(3,4-dimethoxyphenyl)-6-methyl-1,3-benzothiazol-2-amine
CID 79128816
N-[(2-methoxyphenyl)methyl]-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 20886703
6-fluoro-N-[2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine;hydrobromide
CID 18460630
N-[(2-methylphenyl)methyl]-1,3-benzothiazol-2-amine
CID 32680270
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)acetamide
CID 51336701
6-fluoro-N-[(1,4,5,8-tetramethoxynaphthalen-2-yl)methyl]-1,3-benzothiazol-2-amine
CID 142711940
6-methyl-N-(2,3,4-trimethoxyphenyl)-1,3-benzothiazol-2-amine
CID 86577101
5-fluoro-N-[2-(2-methoxyphenyl)ethyl]-1,3-benzothiazol-2-amine
CID 106262047
(E)-but-2-enedioic acid;2-[(2-methoxyphenyl)methyl]-1-(6-methyl-1,3-benzothiazol-2-yl)guanidine;6-methyl-1,3-benzothiazol-2-amine
CID 159916837

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-6-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-6-methyl-1,3-benzothiazol-2-amine (CID 79142914) is N-[(2-methoxyphenyl)methyl]-6-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-6-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-6-methyl-1,3-benzothiazol-2-amine is COc1ccccc1CNc1nc2ccc(C)cc2s1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-6-methyl-1,3-benzothiazol-2-amine?
The InChIKey is CKPAPKRCKOBWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-11-7-8-13-15(9-11)20-16(18-13)17-10-12-5-3-4-6-14(12)19-2/h3-9H,10H2,1-2H3,(H,17,18).
What are the key properties of N-[(2-methoxyphenyl)methyl]-6-methyl-1,3-benzothiazol-2-amine?
N-[(2-methoxyphenyl)methyl]-6-methyl-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-[(2-methoxyphenyl)methyl]-6-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79142914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).