3-[(2-chlorophenoxy)methyl]-1,3-benzothiazol-2-one

C14H10ClNO2S — CID 4576921

IUPAC3-[(2-chlorophenoxy)methyl]-1,3-benzothiazol-2-one
SMILESO=c1sc2ccccc2n1COc1ccccc1Cl
InChIInChI=1S/C14H10ClNO2S/c15-10-5-1-3-7-12(10)18-9-16-11-6-2-4-8-13(11)19-14(16)17/h1-8H,9H2
InChIKeyQFFNSZDBHVXCMO-UHFFFAOYSA-N
MW291.76 g/mol
LogP3.75
Rot. Bonds3

About 3-[(2-chlorophenoxy)methyl]-1,3-benzothiazol-2-one

3-[(2-chlorophenoxy)methyl]-1,3-benzothiazol-2-one (PubChem CID 4576921) has the molecular formula C14H10ClNO2S and a molecular weight of 291.76 g/mol. Its IUPAC name is 3-[(2-chlorophenoxy)methyl]-1,3-benzothiazol-2-one.

Molecular Properties

Compound Name3-[(2-chlorophenoxy)methyl]-1,3-benzothiazol-2-one
PubChem CID4576921
Molecular FormulaC14H10ClNO2S
Molecular Weight291.76 g/mol
Exact Mass291.01
IUPAC Name3-[(2-chlorophenoxy)methyl]-1,3-benzothiazol-2-one
SMILESO=c1sc2ccccc2n1COc1ccccc1Cl
InChIInChI=1S/C14H10ClNO2S/c15-10-5-1-3-7-12(10)18-9-16-11-6-2-4-8-13(11)19-14(16)17/h1-8H,9H2
InChIKeyQFFNSZDBHVXCMO-UHFFFAOYSA-N
XLogP3.75
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(2-chlorophenoxy)propyl]-1,3-benzothiazol-2-one
CID 3898051
3-[2-(2,4-dichlorophenoxy)ethyl]-1,3-benzothiazol-2-one
CID 18823322
3-[2-(2-methoxyphenoxy)ethyl]-1,3-benzothiazol-2-one
CID 656169
(2-chlorophenyl)methyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate
CID 166369145
3-[3-(2-methylphenoxy)propyl]-1,3-benzothiazol-2-one
CID 3157897
2-chloroethyl (2-oxo-1,3-benzothiazol-3-yl)methyl carbonate
CID 4215535
2-(2-oxo-1,3-benzothiazol-3-yl)ethanethiolate
CID 3924477
N-[(E)-(2-chlorophenyl)methylideneamino]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
CID 10665227
2,2,2-trichloroethyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate
CID 4294591
trimethyl-[(2-oxo-1,3-benzothiazol-3-yl)methyl]azanium;hydrobromide
CID 126957521
3-[(3-chlorophenyl)methyl]-1,3-benzothiazol-2-one;hydrate
CID 51056962
2-(2-oxo-1,3-benzothiazol-3-yl)ethanimidamide
CID 20545506

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenoxy)methyl]-1,3-benzothiazol-2-one?
The IUPAC name of 3-[(2-chlorophenoxy)methyl]-1,3-benzothiazol-2-one (CID 4576921) is 3-[(2-chlorophenoxy)methyl]-1,3-benzothiazol-2-one.
What is the SMILES notation for 3-[(2-chlorophenoxy)methyl]-1,3-benzothiazol-2-one?
The canonical SMILES for 3-[(2-chlorophenoxy)methyl]-1,3-benzothiazol-2-one is O=c1sc2ccccc2n1COc1ccccc1Cl.
What is the InChIKey of 3-[(2-chlorophenoxy)methyl]-1,3-benzothiazol-2-one?
The InChIKey is QFFNSZDBHVXCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO2S/c15-10-5-1-3-7-12(10)18-9-16-11-6-2-4-8-13(11)19-14(16)17/h1-8H,9H2.
What are the key properties of 3-[(2-chlorophenoxy)methyl]-1,3-benzothiazol-2-one?
3-[(2-chlorophenoxy)methyl]-1,3-benzothiazol-2-one has a molecular weight of 291.76 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenoxy)methyl]-1,3-benzothiazol-2-one is sourced from PubChem (CID 4576921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).