[3-chloro-5-[(5-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]carbamic acid

C14H8Cl2N2O3S — CID 18511544

IUPAC[3-chloro-5-[(5-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]carbamic acid
SMILESO=C(O)Nc1cc(Cl)cc(Oc2nc3cc(Cl)ccc3s2)c1
InChIInChI=1S/C14H8Cl2N2O3S/c15-7-1-2-12-11(5-7)18-14(22-12)21-10-4-8(16)3-9(6-10)17-13(19)20/h1-6,17H,(H,19,20)
InChIKeyUVNLOLXBCWAYQR-UHFFFAOYSA-N
MW355.20 g/mol
LogP5.49
Rot. Bonds3

About [3-chloro-5-[(5-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]carbamic acid

[3-chloro-5-[(5-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]carbamic acid (PubChem CID 18511544) has the molecular formula C14H8Cl2N2O3S and a molecular weight of 355.20 g/mol. Its IUPAC name is [3-chloro-5-[(5-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]carbamic acid.

Molecular Properties

Compound Name[3-chloro-5-[(5-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]carbamic acid
PubChem CID18511544
Molecular FormulaC14H8Cl2N2O3S
Molecular Weight355.20 g/mol
Exact Mass353.96
IUPAC Name[3-chloro-5-[(5-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]carbamic acid
SMILESO=C(O)Nc1cc(Cl)cc(Oc2nc3cc(Cl)ccc3s2)c1
InChIInChI=1S/C14H8Cl2N2O3S/c15-7-1-2-12-11(5-7)18-14(22-12)21-10-4-8(16)3-9(6-10)17-13(19)20/h1-6,17H,(H,19,20)
InChIKeyUVNLOLXBCWAYQR-UHFFFAOYSA-N
XLogP5.49
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.20
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-chloro-1,3-benzothiazol-2-yl)oxy]aniline
CID 21298104
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(3,5-dichlorophenyl)acetamide
CID 5024075
3-[(5-chloro-1,3-benzothiazol-2-yl)oxy]-5-[(2,4-dichloro-5-methylphenyl)sulfonylamino]-N-ethylbenzamide
CID 18511610
5-chloro-2-(6-chloro-2-methylquinolin-4-yl)oxy-1,3-benzothiazole
CID 2799524
2,4-dichloro-N-[3-chloro-5-[(6-methoxy-1,3-benzothiazol-2-yl)oxy]phenyl]benzenesulfonamide
CID 18511554
3-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]propanoic acid
CID 126645092
2-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenoxy]-2-methylpropanoic acid
CID 126644742
2-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]propanoic acid
CID 126644816
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-chlorophenyl)acetamide
CID 1379298
(E)-4-[(5-chloro-1,3-benzothiazol-2-yl)amino]-4-oxobut-2-enoic acid
CID 1389052
2-chloro-N-[3-chloro-5-[(5-cyano-1,3-benzothiazol-2-yl)oxy]phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 18511626
2-(4-chlorophenoxy)-1,3-benzothiazole
CID 11837172

Frequently Asked Questions

What is the IUPAC name of [3-chloro-5-[(5-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]carbamic acid?
The IUPAC name of [3-chloro-5-[(5-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]carbamic acid (CID 18511544) is [3-chloro-5-[(5-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]carbamic acid.
What is the SMILES notation for [3-chloro-5-[(5-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]carbamic acid?
The canonical SMILES for [3-chloro-5-[(5-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]carbamic acid is O=C(O)Nc1cc(Cl)cc(Oc2nc3cc(Cl)ccc3s2)c1.
What is the InChIKey of [3-chloro-5-[(5-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]carbamic acid?
The InChIKey is UVNLOLXBCWAYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N2O3S/c15-7-1-2-12-11(5-7)18-14(22-12)21-10-4-8(16)3-9(6-10)17-13(19)20/h1-6,17H,(H,19,20).
What are the key properties of [3-chloro-5-[(5-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]carbamic acid?
[3-chloro-5-[(5-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]carbamic acid has a molecular weight of 355.20 g/mol, XLogP of 5.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-5-[(5-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]carbamic acid is sourced from PubChem (CID 18511544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).