6-benzyl-N-ethyl-1,3-benzothiazol-2-amine

C16H16N2S — CID 82548714

IUPAC6-benzyl-N-ethyl-1,3-benzothiazol-2-amine
SMILESCCNc1nc2ccc(Cc3ccccc3)cc2s1
InChIInChI=1S/C16H16N2S/c1-2-17-16-18-14-9-8-13(11-15(14)19-16)10-12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3,(H,17,18)
InChIKeySLSNKYAFWAAZIA-UHFFFAOYSA-N
MW268.38 g/mol
LogP4.32
Rot. Bonds4

About 6-benzyl-N-ethyl-1,3-benzothiazol-2-amine

6-benzyl-N-ethyl-1,3-benzothiazol-2-amine (PubChem CID 82548714) has the molecular formula C16H16N2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 6-benzyl-N-ethyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-benzyl-N-ethyl-1,3-benzothiazol-2-amine
PubChem CID82548714
Molecular FormulaC16H16N2S
Molecular Weight268.38 g/mol
Exact Mass268.10
IUPAC Name6-benzyl-N-ethyl-1,3-benzothiazol-2-amine
SMILESCCNc1nc2ccc(Cc3ccccc3)cc2s1
InChIInChI=1S/C16H16N2S/c1-2-17-16-18-14-9-8-13(11-15(14)19-16)10-12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3,(H,17,18)
InChIKeySLSNKYAFWAAZIA-UHFFFAOYSA-N
XLogP4.32
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,6-dibenzyl-1,3-benzothiazol-2-amine
CID 82548710
6-ethylsulfanyl-N-(2-phenylethyl)-1,3-benzothiazol-2-amine
CID 82548837
N-benzyl-6-ethylsulfonyl-1,3-benzothiazol-2-amine
CID 82549061
N-ethyl-6-propoxy-1,3-benzothiazol-2-amine
CID 82105820
N-benzyl-1,3-benzothiazol-2-amine
CID 617555
6-chloro-N-[(4-ethylphenyl)methyl]-1,3-benzothiazol-2-amine
CID 106900344
N-benzyl-6-(4-methoxyphenyl)-1,3-benzothiazol-2-amine
CID 102448175
N-ethyl-6-propan-2-ylsulfonyl-1,3-benzothiazol-2-amine
CID 82549051
2-(benzylamino)-1,3-benzothiazole-6-carboxylic acid
CID 82549782
N-methyl-6-phenylmethoxy-1,3-benzothiazol-2-amine
CID 82549612
6-ethyl-N-(pyridazin-3-ylmethyl)-1,3-benzothiazol-2-amine
CID 162380372
(2-benzyl-1,3-benzothiazol-6-yl)methanol
CID 177267046

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-N-ethyl-1,3-benzothiazol-2-amine?
The IUPAC name of 6-benzyl-N-ethyl-1,3-benzothiazol-2-amine (CID 82548714) is 6-benzyl-N-ethyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-benzyl-N-ethyl-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-benzyl-N-ethyl-1,3-benzothiazol-2-amine is CCNc1nc2ccc(Cc3ccccc3)cc2s1.
What is the InChIKey of 6-benzyl-N-ethyl-1,3-benzothiazol-2-amine?
The InChIKey is SLSNKYAFWAAZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2S/c1-2-17-16-18-14-9-8-13(11-15(14)19-16)10-12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3,(H,17,18).
What are the key properties of 6-benzyl-N-ethyl-1,3-benzothiazol-2-amine?
6-benzyl-N-ethyl-1,3-benzothiazol-2-amine has a molecular weight of 268.38 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-N-ethyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 82548714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).