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

C15H13ClN2OS — CID 78908946

IUPACN-(3-chloro-2-methylphenyl)-6-methoxy-1,3-benzothiazol-2-amine
SMILESCOc1ccc2nc(Nc3cccc(Cl)c3C)sc2c1
InChIInChI=1S/C15H13ClN2OS/c1-9-11(16)4-3-5-12(9)17-15-18-13-7-6-10(19-2)8-14(13)20-15/h3-8H,1-2H3,(H,17,18)
InChIKeyHGDVDAZJOISZMZ-UHFFFAOYSA-N
MW304.80 g/mol
LogP5.01
Rot. Bonds3

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

N-(3-chloro-2-methylphenyl)-6-methoxy-1,3-benzothiazol-2-amine (PubChem CID 78908946) has the molecular formula C15H13ClN2OS and a molecular weight of 304.80 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-6-methoxy-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-6-methoxy-1,3-benzothiazol-2-amine
PubChem CID78908946
Molecular FormulaC15H13ClN2OS
Molecular Weight304.80 g/mol
Exact Mass304.04
IUPAC NameN-(3-chloro-2-methylphenyl)-6-methoxy-1,3-benzothiazol-2-amine
SMILESCOc1ccc2nc(Nc3cccc(Cl)c3C)sc2c1
InChIInChI=1S/C15H13ClN2OS/c1-9-11(16)4-3-5-12(9)17-15-18-13-7-6-10(19-2)8-14(13)20-15/h3-8H,1-2H3,(H,17,18)
InChIKeyHGDVDAZJOISZMZ-UHFFFAOYSA-N
XLogP5.01
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.80
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-N-(2-methylphenyl)-1,3-benzothiazol-2-amine
CID 79018404
N-(2,3-dichlorophenyl)-5-methoxy-1,3-benzothiazol-2-amine
CID 7513168
N-(4-bromo-2-chlorophenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 79518416
N-(3-chloro-2-methylphenyl)-5-methyl-1,3-benzothiazol-2-amine
CID 43213686
N-(2,6-dibromophenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 107601400
N-(5-chloro-2-methoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 78908750
N-(3,5-dichloro-4-fluorophenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 107575961
N-(2,4-dimethylphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 79518411
1-(2,3-dichlorophenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)urea
CID 4206727
N-(4-chloro-2-iodophenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 107637483
7-chloro-N-(3-chloro-2-methylphenyl)-1,3-benzothiazol-2-amine
CID 43306599
N-(2-fluoro-4-methylphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 79518712

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-6-methoxy-1,3-benzothiazol-2-amine?
The IUPAC name of N-(3-chloro-2-methylphenyl)-6-methoxy-1,3-benzothiazol-2-amine (CID 78908946) is N-(3-chloro-2-methylphenyl)-6-methoxy-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-6-methoxy-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-6-methoxy-1,3-benzothiazol-2-amine is COc1ccc2nc(Nc3cccc(Cl)c3C)sc2c1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-6-methoxy-1,3-benzothiazol-2-amine?
The InChIKey is HGDVDAZJOISZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2OS/c1-9-11(16)4-3-5-12(9)17-15-18-13-7-6-10(19-2)8-14(13)20-15/h3-8H,1-2H3,(H,17,18).
What are the key properties of N-(3-chloro-2-methylphenyl)-6-methoxy-1,3-benzothiazol-2-amine?
N-(3-chloro-2-methylphenyl)-6-methoxy-1,3-benzothiazol-2-amine has a molecular weight of 304.80 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-6-methoxy-1,3-benzothiazol-2-amine is sourced from PubChem (CID 78908946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).