N-(4-bromo-2-chlorophenyl)-6-methoxy-1,3-benzothiazol-2-amine

C14H10BrClN2OS — CID 79518416

IUPACN-(4-bromo-2-chlorophenyl)-6-methoxy-1,3-benzothiazol-2-amine
SMILESCOc1ccc2nc(Nc3ccc(Br)cc3Cl)sc2c1
InChIInChI=1S/C14H10BrClN2OS/c1-19-9-3-5-12-13(7-9)20-14(18-12)17-11-4-2-8(15)6-10(11)16/h2-7H,1H3,(H,17,18)
InChIKeyASKGICPRNHZUPK-UHFFFAOYSA-N
MW369.67 g/mol
LogP5.46
Rot. Bonds3

About N-(4-bromo-2-chlorophenyl)-6-methoxy-1,3-benzothiazol-2-amine

N-(4-bromo-2-chlorophenyl)-6-methoxy-1,3-benzothiazol-2-amine (PubChem CID 79518416) has the molecular formula C14H10BrClN2OS and a molecular weight of 369.67 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-6-methoxy-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-6-methoxy-1,3-benzothiazol-2-amine
PubChem CID79518416
Molecular FormulaC14H10BrClN2OS
Molecular Weight369.67 g/mol
Exact Mass367.94
IUPAC NameN-(4-bromo-2-chlorophenyl)-6-methoxy-1,3-benzothiazol-2-amine
SMILESCOc1ccc2nc(Nc3ccc(Br)cc3Cl)sc2c1
InChIInChI=1S/C14H10BrClN2OS/c1-19-9-3-5-12-13(7-9)20-14(18-12)17-11-4-2-8(15)6-10(11)16/h2-7H,1H3,(H,17,18)
InChIKeyASKGICPRNHZUPK-UHFFFAOYSA-N
XLogP5.46
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.67
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-2-ethylphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 81288755
6-bromo-N-(2,5-dimethoxyphenyl)-1,3-benzothiazol-2-amine
CID 79524846
N-(4-chloro-2-iodophenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 107637483
N-(3-chloro-2-methylphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 78908946
N-(5-chloro-2-methoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 78908750
5-bromo-N-(4-methoxy-2-methylphenyl)-1,3-benzothiazol-2-amine
CID 63546804
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
N-(2,4-dibromophenyl)-6-ethoxy-1,3-benzothiazol-2-amine
CID 78908770
6-methoxy-N-(2-methylphenyl)-1,3-benzothiazol-2-amine
CID 79018404
N-(2,6-dibromophenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 107601400
N-(2-fluoro-4-methylphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 79518712

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-6-methoxy-1,3-benzothiazol-2-amine?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-6-methoxy-1,3-benzothiazol-2-amine (CID 79518416) is N-(4-bromo-2-chlorophenyl)-6-methoxy-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-6-methoxy-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-6-methoxy-1,3-benzothiazol-2-amine is COc1ccc2nc(Nc3ccc(Br)cc3Cl)sc2c1.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-6-methoxy-1,3-benzothiazol-2-amine?
The InChIKey is ASKGICPRNHZUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN2OS/c1-19-9-3-5-12-13(7-9)20-14(18-12)17-11-4-2-8(15)6-10(11)16/h2-7H,1H3,(H,17,18).
What are the key properties of N-(4-bromo-2-chlorophenyl)-6-methoxy-1,3-benzothiazol-2-amine?
N-(4-bromo-2-chlorophenyl)-6-methoxy-1,3-benzothiazol-2-amine has a molecular weight of 369.67 g/mol, XLogP of 5.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-chlorophenyl)-6-methoxy-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79518416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).