N-(3,5-dichloro-4-fluorophenyl)-6-methoxy-1,3-benzothiazol-2-amine

C14H9Cl2FN2OS — CID 107575961

IUPACN-(3,5-dichloro-4-fluorophenyl)-6-methoxy-1,3-benzothiazol-2-amine
SMILESCOc1ccc2nc(Nc3cc(Cl)c(F)c(Cl)c3)sc2c1
InChIInChI=1S/C14H9Cl2FN2OS/c1-20-8-2-3-11-12(6-8)21-14(19-11)18-7-4-9(15)13(17)10(16)5-7/h2-6H,1H3,(H,18,19)
InChIKeyRJLHFTFZERQLCM-UHFFFAOYSA-N
MW343.21 g/mol
LogP5.49
Rot. Bonds3

About N-(3,5-dichloro-4-fluorophenyl)-6-methoxy-1,3-benzothiazol-2-amine

N-(3,5-dichloro-4-fluorophenyl)-6-methoxy-1,3-benzothiazol-2-amine (PubChem CID 107575961) has the molecular formula C14H9Cl2FN2OS and a molecular weight of 343.21 g/mol. Its IUPAC name is N-(3,5-dichloro-4-fluorophenyl)-6-methoxy-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(3,5-dichloro-4-fluorophenyl)-6-methoxy-1,3-benzothiazol-2-amine
PubChem CID107575961
Molecular FormulaC14H9Cl2FN2OS
Molecular Weight343.21 g/mol
Exact Mass341.98
IUPAC NameN-(3,5-dichloro-4-fluorophenyl)-6-methoxy-1,3-benzothiazol-2-amine
SMILESCOc1ccc2nc(Nc3cc(Cl)c(F)c(Cl)c3)sc2c1
InChIInChI=1S/C14H9Cl2FN2OS/c1-20-8-2-3-11-12(6-8)21-14(19-11)18-7-4-9(15)13(17)10(16)5-7/h2-6H,1H3,(H,18,19)
InChIKeyRJLHFTFZERQLCM-UHFFFAOYSA-N
XLogP5.49
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.21
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-5-fluorophenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 107368348
6-fluoro-N-(4-methoxyphenyl)-1,3-benzothiazol-2-amine
CID 7086355
N-(3-fluoro-4-methoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 53414489
N-(4-bromo-2-chlorophenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 79518416
6-methoxy-N-(3-methylsulfanylphenyl)-1,3-benzothiazol-2-amine
CID 53414965
N-(3-chloro-2-methylphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 78908946
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-(2-fluoro-4-methylphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 79518712
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-1,3-benzothiazol-5-amine
CID 43968479
N-(4-chloro-2-iodophenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 107637483
N-(4-fluoro-2-iodophenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 79765855

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-fluorophenyl)-6-methoxy-1,3-benzothiazol-2-amine?
The IUPAC name of N-(3,5-dichloro-4-fluorophenyl)-6-methoxy-1,3-benzothiazol-2-amine (CID 107575961) is N-(3,5-dichloro-4-fluorophenyl)-6-methoxy-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(3,5-dichloro-4-fluorophenyl)-6-methoxy-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(3,5-dichloro-4-fluorophenyl)-6-methoxy-1,3-benzothiazol-2-amine is COc1ccc2nc(Nc3cc(Cl)c(F)c(Cl)c3)sc2c1.
What is the InChIKey of N-(3,5-dichloro-4-fluorophenyl)-6-methoxy-1,3-benzothiazol-2-amine?
The InChIKey is RJLHFTFZERQLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2FN2OS/c1-20-8-2-3-11-12(6-8)21-14(19-11)18-7-4-9(15)13(17)10(16)5-7/h2-6H,1H3,(H,18,19).
What are the key properties of N-(3,5-dichloro-4-fluorophenyl)-6-methoxy-1,3-benzothiazol-2-amine?
N-(3,5-dichloro-4-fluorophenyl)-6-methoxy-1,3-benzothiazol-2-amine has a molecular weight of 343.21 g/mol, XLogP of 5.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-fluorophenyl)-6-methoxy-1,3-benzothiazol-2-amine is sourced from PubChem (CID 107575961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).