5-chloro-2-(6-chloro-2-methylquinolin-4-yl)oxy-1,3-benzothiazole

C17H10Cl2N2OS — CID 2799524

IUPAC5-chloro-2-(6-chloro-2-methylquinolin-4-yl)oxy-1,3-benzothiazole
SMILESCc1cc(Oc2nc3cc(Cl)ccc3s2)c2cc(Cl)ccc2n1
InChIInChI=1S/C17H10Cl2N2OS/c1-9-6-15(12-7-10(18)2-4-13(12)20-9)22-17-21-14-8-11(19)3-5-16(14)23-17/h2-8H,1H3
InChIKeyBFYCPMOSYCGPLJ-UHFFFAOYSA-N
MW361.25 g/mol
LogP6.25
Rot. Bonds2

About 5-chloro-2-(6-chloro-2-methylquinolin-4-yl)oxy-1,3-benzothiazole

5-chloro-2-(6-chloro-2-methylquinolin-4-yl)oxy-1,3-benzothiazole (PubChem CID 2799524) has the molecular formula C17H10Cl2N2OS and a molecular weight of 361.25 g/mol. Its IUPAC name is 5-chloro-2-(6-chloro-2-methylquinolin-4-yl)oxy-1,3-benzothiazole.

Molecular Properties

Compound Name5-chloro-2-(6-chloro-2-methylquinolin-4-yl)oxy-1,3-benzothiazole
PubChem CID2799524
Molecular FormulaC17H10Cl2N2OS
Molecular Weight361.25 g/mol
Exact Mass359.99
IUPAC Name5-chloro-2-(6-chloro-2-methylquinolin-4-yl)oxy-1,3-benzothiazole
SMILESCc1cc(Oc2nc3cc(Cl)ccc3s2)c2cc(Cl)ccc2n1
InChIInChI=1S/C17H10Cl2N2OS/c1-9-6-15(12-7-10(18)2-4-13(12)20-9)22-17-21-14-8-11(19)3-5-16(14)23-17/h2-8H,1H3
InChIKeyBFYCPMOSYCGPLJ-UHFFFAOYSA-N
XLogP6.25
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.25
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-chloro-1,3-benzothiazol-2-yl)oxy]aniline
CID 21298104
5-chloro-2-methyl-1,3-benzothiazole;methane
CID 163804732
[3-chloro-5-[(5-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]carbamic acid
CID 18511544
7-chloro-4-methoxy-2-methylquinoline
CID 82581159
2-chloro-1,3-benzothiazole;5-chloro-2-methyl-1,3-benzothiazole
CID 23179407
2-(4-chloro-2-nitrophenoxy)-6-nitro-1,3-benzothiazole
CID 56575862
2-(6-chloro-2-methylquinolin-4-yl)oxy-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 75447270
6-chloro-N-(5-chloro-2-methoxyphenyl)-2-methylquinolin-4-amine;hydrochloride
CID 2790562
1-(6-chloro-2-methylquinolin-4-yl)-N-methylmethanamine
CID 82449106
4-(6-chloro-2-methylquinolin-4-yl)-N-methyl-1,3-thiazol-2-amine
CID 82449132
5-chloro-2-(3,4-dimethoxyphenyl)-1,3-benzothiazole
CID 11659503
2-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]propanoic acid
CID 126644816

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(6-chloro-2-methylquinolin-4-yl)oxy-1,3-benzothiazole?
The IUPAC name of 5-chloro-2-(6-chloro-2-methylquinolin-4-yl)oxy-1,3-benzothiazole (CID 2799524) is 5-chloro-2-(6-chloro-2-methylquinolin-4-yl)oxy-1,3-benzothiazole.
What is the SMILES notation for 5-chloro-2-(6-chloro-2-methylquinolin-4-yl)oxy-1,3-benzothiazole?
The canonical SMILES for 5-chloro-2-(6-chloro-2-methylquinolin-4-yl)oxy-1,3-benzothiazole is Cc1cc(Oc2nc3cc(Cl)ccc3s2)c2cc(Cl)ccc2n1.
What is the InChIKey of 5-chloro-2-(6-chloro-2-methylquinolin-4-yl)oxy-1,3-benzothiazole?
The InChIKey is BFYCPMOSYCGPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2N2OS/c1-9-6-15(12-7-10(18)2-4-13(12)20-9)22-17-21-14-8-11(19)3-5-16(14)23-17/h2-8H,1H3.
What are the key properties of 5-chloro-2-(6-chloro-2-methylquinolin-4-yl)oxy-1,3-benzothiazole?
5-chloro-2-(6-chloro-2-methylquinolin-4-yl)oxy-1,3-benzothiazole has a molecular weight of 361.25 g/mol, XLogP of 6.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(6-chloro-2-methylquinolin-4-yl)oxy-1,3-benzothiazole is sourced from PubChem (CID 2799524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).