N-(3-fluoro-4-methoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine

C15H13FN2O2S — CID 53414489

IUPACN-(3-fluoro-4-methoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine
SMILESCOc1ccc2nc(Nc3ccc(OC)c(F)c3)sc2c1
InChIInChI=1S/C15H13FN2O2S/c1-19-10-4-5-12-14(8-10)21-15(18-12)17-9-3-6-13(20-2)11(16)7-9/h3-8H,1-2H3,(H,17,18)
InChIKeyBBZDBZXCULTQPH-UHFFFAOYSA-N
MW304.35 g/mol
LogP4.20
Rot. Bonds4

About N-(3-fluoro-4-methoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine

N-(3-fluoro-4-methoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine (PubChem CID 53414489) has the molecular formula C15H13FN2O2S and a molecular weight of 304.35 g/mol. Its IUPAC name is N-(3-fluoro-4-methoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(3-fluoro-4-methoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine
PubChem CID53414489
Molecular FormulaC15H13FN2O2S
Molecular Weight304.35 g/mol
Exact Mass304.07
IUPAC NameN-(3-fluoro-4-methoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine
SMILESCOc1ccc2nc(Nc3ccc(OC)c(F)c3)sc2c1
InChIInChI=1S/C15H13FN2O2S/c1-19-10-4-5-12-14(8-10)21-15(18-12)17-9-3-6-13(20-2)11(16)7-9/h3-8H,1-2H3,(H,17,18)
InChIKeyBBZDBZXCULTQPH-UHFFFAOYSA-N
XLogP4.20
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-fluoro-4-methoxyanilino)-1,3-benzothiazol-6-ol
CID 142733980
6-fluoro-N-(4-methoxyphenyl)-1,3-benzothiazol-2-amine
CID 7086355
N-(3,5-dichloro-4-fluorophenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 107575961
N-(5-chloro-2-methoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 78908750
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-1,3-benzothiazol-5-amine
CID 43968479
6-methoxy-N-(3-methylsulfanylphenyl)-1,3-benzothiazol-2-amine
CID 53414965
N-(3-chloro-5-fluorophenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 107368348
N-(3,4-dimethoxyphenyl)-6-methyl-1,3-benzothiazol-2-amine
CID 79128816
6-bromo-N-(3,4-dimethoxyphenyl)-1,3-benzothiazol-2-amine
CID 79524842
N-(2-fluoro-4-methylphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 79518712
N-(4-fluoro-2-iodophenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 79765855
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine
CID 7105763

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine?
The IUPAC name of N-(3-fluoro-4-methoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine (CID 53414489) is N-(3-fluoro-4-methoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(3-fluoro-4-methoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(3-fluoro-4-methoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine is COc1ccc2nc(Nc3ccc(OC)c(F)c3)sc2c1.
What is the InChIKey of N-(3-fluoro-4-methoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine?
The InChIKey is BBZDBZXCULTQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2S/c1-19-10-4-5-12-14(8-10)21-15(18-12)17-9-3-6-13(20-2)11(16)7-9/h3-8H,1-2H3,(H,17,18).
What are the key properties of N-(3-fluoro-4-methoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine?
N-(3-fluoro-4-methoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine has a molecular weight of 304.35 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine is sourced from PubChem (CID 53414489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).