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

C16H15BrN2OS — CID 81288755

IUPACN-(4-bromo-2-ethylphenyl)-6-methoxy-1,3-benzothiazol-2-amine
SMILESCCc1cc(Br)ccc1Nc1nc2ccc(OC)cc2s1
InChIInChI=1S/C16H15BrN2OS/c1-3-10-8-11(17)4-6-13(10)18-16-19-14-7-5-12(20-2)9-15(14)21-16/h4-9H,3H2,1-2H3,(H,18,19)
InChIKeyXDWMKNLTMRKIQS-UHFFFAOYSA-N
MW363.28 g/mol
LogP5.37
Rot. Bonds4

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

N-(4-bromo-2-ethylphenyl)-6-methoxy-1,3-benzothiazol-2-amine (PubChem CID 81288755) has the molecular formula C16H15BrN2OS and a molecular weight of 363.28 g/mol. Its IUPAC name is N-(4-bromo-2-ethylphenyl)-6-methoxy-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(4-bromo-2-ethylphenyl)-6-methoxy-1,3-benzothiazol-2-amine
PubChem CID81288755
Molecular FormulaC16H15BrN2OS
Molecular Weight363.28 g/mol
Exact Mass362.01
IUPAC NameN-(4-bromo-2-ethylphenyl)-6-methoxy-1,3-benzothiazol-2-amine
SMILESCCc1cc(Br)ccc1Nc1nc2ccc(OC)cc2s1
InChIInChI=1S/C16H15BrN2OS/c1-3-10-8-11(17)4-6-13(10)18-16-19-14-7-5-12(20-2)9-15(14)21-16/h4-9H,3H2,1-2H3,(H,18,19)
InChIKeyXDWMKNLTMRKIQS-UHFFFAOYSA-N
XLogP5.37
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.28
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-2-chlorophenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 79518416
6-bromo-N-(2,5-dimethoxyphenyl)-1,3-benzothiazol-2-amine
CID 79524846
N-(2,4-dibromophenyl)-6-ethoxy-1,3-benzothiazol-2-amine
CID 78908770
5-bromo-N-(4-methoxy-2-methylphenyl)-1,3-benzothiazol-2-amine
CID 63546804
N-(2,4-dimethylphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 79518411
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
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
5-bromo-2-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 1341416
N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 718596

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethylphenyl)-6-methoxy-1,3-benzothiazol-2-amine?
The IUPAC name of N-(4-bromo-2-ethylphenyl)-6-methoxy-1,3-benzothiazol-2-amine (CID 81288755) is N-(4-bromo-2-ethylphenyl)-6-methoxy-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(4-bromo-2-ethylphenyl)-6-methoxy-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(4-bromo-2-ethylphenyl)-6-methoxy-1,3-benzothiazol-2-amine is CCc1cc(Br)ccc1Nc1nc2ccc(OC)cc2s1.
What is the InChIKey of N-(4-bromo-2-ethylphenyl)-6-methoxy-1,3-benzothiazol-2-amine?
The InChIKey is XDWMKNLTMRKIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2OS/c1-3-10-8-11(17)4-6-13(10)18-16-19-14-7-5-12(20-2)9-15(14)21-16/h4-9H,3H2,1-2H3,(H,18,19).
What are the key properties of N-(4-bromo-2-ethylphenyl)-6-methoxy-1,3-benzothiazol-2-amine?
N-(4-bromo-2-ethylphenyl)-6-methoxy-1,3-benzothiazol-2-amine has a molecular weight of 363.28 g/mol, XLogP of 5.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-ethylphenyl)-6-methoxy-1,3-benzothiazol-2-amine is sourced from PubChem (CID 81288755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).