6-chloro-N-(2-ethyl-6-methylphenyl)-1,3-benzothiazol-2-amine

C16H15ClN2S — CID 79527732

IUPAC6-chloro-N-(2-ethyl-6-methylphenyl)-1,3-benzothiazol-2-amine
SMILESCCc1cccc(C)c1Nc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C16H15ClN2S/c1-3-11-6-4-5-10(2)15(11)19-16-18-13-8-7-12(17)9-14(13)20-16/h4-9H,3H2,1-2H3,(H,18,19)
InChIKeyIJEHSKDVKGWGBE-UHFFFAOYSA-N
MW302.83 g/mol
LogP5.56
Rot. Bonds3

About 6-chloro-N-(2-ethyl-6-methylphenyl)-1,3-benzothiazol-2-amine

6-chloro-N-(2-ethyl-6-methylphenyl)-1,3-benzothiazol-2-amine (PubChem CID 79527732) has the molecular formula C16H15ClN2S and a molecular weight of 302.83 g/mol. Its IUPAC name is 6-chloro-N-(2-ethyl-6-methylphenyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-chloro-N-(2-ethyl-6-methylphenyl)-1,3-benzothiazol-2-amine
PubChem CID79527732
Molecular FormulaC16H15ClN2S
Molecular Weight302.83 g/mol
Exact Mass302.06
IUPAC Name6-chloro-N-(2-ethyl-6-methylphenyl)-1,3-benzothiazol-2-amine
SMILESCCc1cccc(C)c1Nc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C16H15ClN2S/c1-3-11-6-4-5-10(2)15(11)19-16-18-13-8-7-12(17)9-14(13)20-16/h4-9H,3H2,1-2H3,(H,18,19)
InChIKeyIJEHSKDVKGWGBE-UHFFFAOYSA-N
XLogP5.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.83
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-(2,6-diethylphenyl)-1,3-benzothiazol-2-amine
CID 79525572
2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-3-methylbenzonitrile
CID 107106288
N-(2-ethyl-6-methylphenyl)-4-methyl-1,3-benzothiazol-2-amine
CID 79147272
N-(2,6-dimethylphenyl)-6-fluoro-1,3-benzothiazol-2-amine
CID 79143552
6-chloro-N-(3-fluoro-2-methylphenyl)-1,3-benzothiazol-2-amine
CID 79526478
6-chloro-N-[(4-ethylphenyl)methyl]-1,3-benzothiazol-2-amine
CID 106900344
6-chloro-N-(4-chlorophenyl)-1,3-benzothiazol-2-amine
CID 5044430
6-chloro-N-(5-methyl-1H-pyrazol-3-yl)-1,3-benzothiazol-2-amine
CID 91315344
6-chloro-N-methyl-1,3-benzothiazol-2-amine
CID 10774358
6-chloro-N-(3-propan-2-ylphenyl)-1,3-benzothiazol-2-amine
CID 79528250
N-(5-bromo-2-methylphenyl)-6-chloro-1,3-benzothiazol-2-amine
CID 53414874
6-chloro-N-(2-fluoro-5-methylphenyl)-1,3-benzothiazol-2-amine
CID 79528338

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-ethyl-6-methylphenyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-chloro-N-(2-ethyl-6-methylphenyl)-1,3-benzothiazol-2-amine (CID 79527732) is 6-chloro-N-(2-ethyl-6-methylphenyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-chloro-N-(2-ethyl-6-methylphenyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-chloro-N-(2-ethyl-6-methylphenyl)-1,3-benzothiazol-2-amine is CCc1cccc(C)c1Nc1nc2ccc(Cl)cc2s1.
What is the InChIKey of 6-chloro-N-(2-ethyl-6-methylphenyl)-1,3-benzothiazol-2-amine?
The InChIKey is IJEHSKDVKGWGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2S/c1-3-11-6-4-5-10(2)15(11)19-16-18-13-8-7-12(17)9-14(13)20-16/h4-9H,3H2,1-2H3,(H,18,19).
What are the key properties of 6-chloro-N-(2-ethyl-6-methylphenyl)-1,3-benzothiazol-2-amine?
6-chloro-N-(2-ethyl-6-methylphenyl)-1,3-benzothiazol-2-amine has a molecular weight of 302.83 g/mol, XLogP of 5.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-ethyl-6-methylphenyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79527732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).