N-(2,3-dichlorophenyl)-5-methoxy-1,3-benzothiazol-2-amine

C14H10Cl2N2OS — CID 7513168

IUPACN-(2,3-dichlorophenyl)-5-methoxy-1,3-benzothiazol-2-amine
SMILESCOc1ccc2sc(Nc3cccc(Cl)c3Cl)nc2c1
InChIInChI=1S/C14H10Cl2N2OS/c1-19-8-5-6-12-11(7-8)18-14(20-12)17-10-4-2-3-9(15)13(10)16/h2-7H,1H3,(H,17,18)
InChIKeyAUBGPAZMYIEXEO-UHFFFAOYSA-N
MW325.22 g/mol
LogP5.36
Rot. Bonds3

About N-(2,3-dichlorophenyl)-5-methoxy-1,3-benzothiazol-2-amine

N-(2,3-dichlorophenyl)-5-methoxy-1,3-benzothiazol-2-amine (PubChem CID 7513168) has the molecular formula C14H10Cl2N2OS and a molecular weight of 325.22 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-5-methoxy-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-5-methoxy-1,3-benzothiazol-2-amine
PubChem CID7513168
Molecular FormulaC14H10Cl2N2OS
Molecular Weight325.22 g/mol
Exact Mass323.99
IUPAC NameN-(2,3-dichlorophenyl)-5-methoxy-1,3-benzothiazol-2-amine
SMILESCOc1ccc2sc(Nc3cccc(Cl)c3Cl)nc2c1
InChIInChI=1S/C14H10Cl2N2OS/c1-19-8-5-6-12-11(7-8)18-14(20-12)17-10-4-2-3-9(15)13(10)16/h2-7H,1H3,(H,17,18)
InChIKeyAUBGPAZMYIEXEO-UHFFFAOYSA-N
XLogP5.36
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.22
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dichlorophenyl)-5-fluoro-1,3-benzothiazol-2-amine
CID 43306998
N-(3-chloro-2-methylphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 78908946
5-methoxy-N-(3-methoxyphenyl)-1,3-benzothiazol-2-amine
CID 7489943
1-(2,3-dichlorophenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)urea
CID 4206727
N-(3-chloro-2-methylphenyl)-5-methyl-1,3-benzothiazol-2-amine
CID 43213686
N-(2,3-dichlorophenyl)-6-methoxy-1H-benzimidazol-2-amine
CID 82562590
6-methoxy-N-(2-methylphenyl)-1,3-benzothiazol-2-amine
CID 79018404
5-bromo-N-(4-methoxy-2-methylphenyl)-1,3-benzothiazol-2-amine
CID 63546804
5-methoxy-N-prop-2-ynyl-1,3-benzothiazol-2-amine
CID 45077219
N-(4-bromo-2-chlorophenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 79518416
5-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
CID 7513043
N-benzyl-5-methoxy-1,3-benzothiazol-2-amine
CID 7208982

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-5-methoxy-1,3-benzothiazol-2-amine?
The IUPAC name of N-(2,3-dichlorophenyl)-5-methoxy-1,3-benzothiazol-2-amine (CID 7513168) is N-(2,3-dichlorophenyl)-5-methoxy-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(2,3-dichlorophenyl)-5-methoxy-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(2,3-dichlorophenyl)-5-methoxy-1,3-benzothiazol-2-amine is COc1ccc2sc(Nc3cccc(Cl)c3Cl)nc2c1.
What is the InChIKey of N-(2,3-dichlorophenyl)-5-methoxy-1,3-benzothiazol-2-amine?
The InChIKey is AUBGPAZMYIEXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2OS/c1-19-8-5-6-12-11(7-8)18-14(20-12)17-10-4-2-3-9(15)13(10)16/h2-7H,1H3,(H,17,18).
What are the key properties of N-(2,3-dichlorophenyl)-5-methoxy-1,3-benzothiazol-2-amine?
N-(2,3-dichlorophenyl)-5-methoxy-1,3-benzothiazol-2-amine has a molecular weight of 325.22 g/mol, XLogP of 5.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-5-methoxy-1,3-benzothiazol-2-amine is sourced from PubChem (CID 7513168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).