N-(5-chloro-2-methoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine

C15H13ClN2O2S — CID 78908750

IUPACN-(5-chloro-2-methoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine
SMILESCOc1ccc2nc(Nc3cc(Cl)ccc3OC)sc2c1
InChIInChI=1S/C15H13ClN2O2S/c1-19-10-4-5-11-14(8-10)21-15(17-11)18-12-7-9(16)3-6-13(12)20-2/h3-8H,1-2H3,(H,17,18)
InChIKeyXWSUGRULYHTJGP-UHFFFAOYSA-N
MW320.80 g/mol
LogP4.71
Rot. Bonds4

About N-(5-chloro-2-methoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine

N-(5-chloro-2-methoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine (PubChem CID 78908750) has the molecular formula C15H13ClN2O2S and a molecular weight of 320.80 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine
PubChem CID78908750
Molecular FormulaC15H13ClN2O2S
Molecular Weight320.80 g/mol
Exact Mass320.04
IUPAC NameN-(5-chloro-2-methoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine
SMILESCOc1ccc2nc(Nc3cc(Cl)ccc3OC)sc2c1
InChIInChI=1S/C15H13ClN2O2S/c1-19-10-4-5-11-14(8-10)21-15(17-11)18-12-7-9(16)3-6-13(12)20-2/h3-8H,1-2H3,(H,17,18)
InChIKeyXWSUGRULYHTJGP-UHFFFAOYSA-N
XLogP4.71
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-2-iodophenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 107637483
6-bromo-N-(2,5-dimethoxyphenyl)-1,3-benzothiazol-2-amine
CID 79524846
6-N-(2,5-dimethoxyphenyl)-4-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidine-4,5,6-triamine
CID 19142735
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
N-(3-chloro-2-methylphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 78908946
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine
CID 7105763
6-methoxy-N-(2-methylphenyl)-1,3-benzothiazol-2-amine
CID 79018404
4-N-(6-methoxy-1,3-benzothiazol-2-yl)-6-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5,6-triamine
CID 22541931
N-(2-fluoro-4-methylphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 79518712
N-(5-chloro-2-methoxyphenyl)-6-methoxy-2-methylquinolin-4-amine
CID 886675
N-(3,5-dichloro-4-fluorophenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 107575961

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine (CID 78908750) is N-(5-chloro-2-methoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine is COc1ccc2nc(Nc3cc(Cl)ccc3OC)sc2c1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine?
The InChIKey is XWSUGRULYHTJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2S/c1-19-10-4-5-11-14(8-10)21-15(17-11)18-12-7-9(16)3-6-13(12)20-2/h3-8H,1-2H3,(H,17,18).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine?
N-(5-chloro-2-methoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine has a molecular weight of 320.80 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine is sourced from PubChem (CID 78908750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).