2-[(5-chloro-1,2-benzothiazol-3-yl)oxy]butanamide

C11H11ClN2O2S — CID 86206526

IUPAC2-[(5-chloro-1,2-benzothiazol-3-yl)oxy]butanamide
SMILESCCC(Oc1nsc2ccc(Cl)cc12)C(N)=O
InChIInChI=1S/C11H11ClN2O2S/c1-2-8(10(13)15)16-11-7-5-6(12)3-4-9(7)17-14-11/h3-5,8H,2H2,1H3,(H2,13,15)
InChIKeyFWMVVNGWJQTDHB-UHFFFAOYSA-N
MW270.74 g/mol
LogP2.59
Rot. Bonds4

About 2-[(5-chloro-1,2-benzothiazol-3-yl)oxy]butanamide

2-[(5-chloro-1,2-benzothiazol-3-yl)oxy]butanamide (PubChem CID 86206526) has the molecular formula C11H11ClN2O2S and a molecular weight of 270.74 g/mol. Its IUPAC name is 2-[(5-chloro-1,2-benzothiazol-3-yl)oxy]butanamide.

Molecular Properties

Compound Name2-[(5-chloro-1,2-benzothiazol-3-yl)oxy]butanamide
PubChem CID86206526
Molecular FormulaC11H11ClN2O2S
Molecular Weight270.74 g/mol
Exact Mass270.02
IUPAC Name2-[(5-chloro-1,2-benzothiazol-3-yl)oxy]butanamide
SMILESCCC(Oc1nsc2ccc(Cl)cc12)C(N)=O
InChIInChI=1S/C11H11ClN2O2S/c1-2-8(10(13)15)16-11-7-5-6(12)3-4-9(7)17-14-11/h3-5,8H,2H2,1H3,(H2,13,15)
InChIKeyFWMVVNGWJQTDHB-UHFFFAOYSA-N
XLogP2.59
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.74
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dichlorophenoxy)butanamide
CID 62901251
2-(2-carbamothioyl-5-chlorophenoxy)butanamide
CID 113277371
(2R)-2-[(3-chloro-5-methyl-2-pyridinyl)oxy]butanamide
CID 170444222
2-(1-amino-1-oxobutan-2-yl)oxy-5-chlorobenzenesulfonyl chloride
CID 82922031
2-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]butanamide
CID 55132194
2-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]butanamide
CID 63056882
4-(1-amino-1-oxobutan-2-yl)oxybenzenesulfonyl chloride
CID 82916384
2-(4-methylphenoxy)butanamide
CID 4980758
2-(4-ethoxyphenoxy)butanamide
CID 62901060
methyl (2R)-2-[(3,5-dichloro-2-pyridinyl)oxy]butanoate
CID 165431123
2-[2-chloro-6-(hydroxymethyl)phenoxy]butanamide
CID 112612856
4-(1-amino-1-oxobutan-2-yl)oxy-3-chlorobenzoic acid
CID 62900576

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-1,2-benzothiazol-3-yl)oxy]butanamide?
The IUPAC name of 2-[(5-chloro-1,2-benzothiazol-3-yl)oxy]butanamide (CID 86206526) is 2-[(5-chloro-1,2-benzothiazol-3-yl)oxy]butanamide.
What is the SMILES notation for 2-[(5-chloro-1,2-benzothiazol-3-yl)oxy]butanamide?
The canonical SMILES for 2-[(5-chloro-1,2-benzothiazol-3-yl)oxy]butanamide is CCC(Oc1nsc2ccc(Cl)cc12)C(N)=O.
What is the InChIKey of 2-[(5-chloro-1,2-benzothiazol-3-yl)oxy]butanamide?
The InChIKey is FWMVVNGWJQTDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2S/c1-2-8(10(13)15)16-11-7-5-6(12)3-4-9(7)17-14-11/h3-5,8H,2H2,1H3,(H2,13,15).
What are the key properties of 2-[(5-chloro-1,2-benzothiazol-3-yl)oxy]butanamide?
2-[(5-chloro-1,2-benzothiazol-3-yl)oxy]butanamide has a molecular weight of 270.74 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-1,2-benzothiazol-3-yl)oxy]butanamide is sourced from PubChem (CID 86206526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).