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

C16H16N2S — CID 2376092

IUPACN-benzyl-4,6-dimethyl-1,3-benzothiazol-2-amine
SMILESCc1cc(C)c2nc(NCc3ccccc3)sc2c1
InChIInChI=1S/C16H16N2S/c1-11-8-12(2)15-14(9-11)19-16(18-15)17-10-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyZLWZQKHVKYVBNX-UHFFFAOYSA-N
MW268.38 g/mol
LogP4.53
Rot. Bonds3

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

N-benzyl-4,6-dimethyl-1,3-benzothiazol-2-amine (PubChem CID 2376092) has the molecular formula C16H16N2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-benzyl-4,6-dimethyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-benzyl-4,6-dimethyl-1,3-benzothiazol-2-amine
PubChem CID2376092
Molecular FormulaC16H16N2S
Molecular Weight268.38 g/mol
Exact Mass268.10
IUPAC NameN-benzyl-4,6-dimethyl-1,3-benzothiazol-2-amine
SMILESCc1cc(C)c2nc(NCc3ccccc3)sc2c1
InChIInChI=1S/C16H16N2S/c1-11-8-12(2)15-14(9-11)19-16(18-15)17-10-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyZLWZQKHVKYVBNX-UHFFFAOYSA-N
XLogP4.53
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-methyl-6-propoxy-1,3-benzothiazol-2-amine
CID 82548811
4-[[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]methyl]-2-methoxyphenol chloride
CID 53352392
2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]ethanol
CID 605706
N-benzyl-6-methoxy-4,7-dimethyl-1,3-benzothiazol-2-amine
CID 82549040
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 7926935
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 4307053
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-methylphenyl)acetamide
CID 30848217
N-benzyl-1,3-benzothiazol-2-amine
CID 617555
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-phenylethyl)benzamide
CID 19226196
N-benzyl-4,6-diethoxy-1,3-benzothiazol-2-amine
CID 82549644
N-benzyl-5-methoxy-1,3-benzothiazol-2-amine
CID 7208982
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-phenylsulfanylpropanamide
CID 3470440

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4,6-dimethyl-1,3-benzothiazol-2-amine?
The IUPAC name of N-benzyl-4,6-dimethyl-1,3-benzothiazol-2-amine (CID 2376092) is N-benzyl-4,6-dimethyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-benzyl-4,6-dimethyl-1,3-benzothiazol-2-amine?
The canonical SMILES for N-benzyl-4,6-dimethyl-1,3-benzothiazol-2-amine is Cc1cc(C)c2nc(NCc3ccccc3)sc2c1.
What is the InChIKey of N-benzyl-4,6-dimethyl-1,3-benzothiazol-2-amine?
The InChIKey is ZLWZQKHVKYVBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2S/c1-11-8-12(2)15-14(9-11)19-16(18-15)17-10-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H,17,18).
What are the key properties of N-benzyl-4,6-dimethyl-1,3-benzothiazol-2-amine?
N-benzyl-4,6-dimethyl-1,3-benzothiazol-2-amine has a molecular weight of 268.38 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4,6-dimethyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 2376092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).