2-(2-methoxyanilino)-5,6-dihydro-4H-1,3-benzothiazol-7-one

C14H14N2O2S — CID 166222120

IUPAC2-(2-methoxyanilino)-5,6-dihydro-4H-1,3-benzothiazol-7-one
SMILESCOc1ccccc1Nc1nc2c(s1)C(=O)CCC2
InChIInChI=1S/C14H14N2O2S/c1-18-12-8-3-2-5-9(12)15-14-16-10-6-4-7-11(17)13(10)19-14/h2-3,5,8H,4,6-7H2,1H3,(H,15,16)
InChIKeyFWKWDAVXXAUFRQ-UHFFFAOYSA-N
MW274.35 g/mol
LogP3.41
Rot. Bonds3

About 2-(2-methoxyanilino)-5,6-dihydro-4H-1,3-benzothiazol-7-one

2-(2-methoxyanilino)-5,6-dihydro-4H-1,3-benzothiazol-7-one (PubChem CID 166222120) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is 2-(2-methoxyanilino)-5,6-dihydro-4H-1,3-benzothiazol-7-one.

Molecular Properties

Compound Name2-(2-methoxyanilino)-5,6-dihydro-4H-1,3-benzothiazol-7-one
PubChem CID166222120
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC Name2-(2-methoxyanilino)-5,6-dihydro-4H-1,3-benzothiazol-7-one
SMILESCOc1ccccc1Nc1nc2c(s1)C(=O)CCC2
InChIInChI=1S/C14H14N2O2S/c1-18-12-8-3-2-5-9(12)15-14-16-10-6-4-7-11(17)13(10)19-14/h2-3,5,8H,4,6-7H2,1H3,(H,15,16)
InChIKeyFWKWDAVXXAUFRQ-UHFFFAOYSA-N
XLogP3.41
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyanilino)-5,6-dihydro-4H-1,3-benzothiazol-7-one?
The IUPAC name of 2-(2-methoxyanilino)-5,6-dihydro-4H-1,3-benzothiazol-7-one (CID 166222120) is 2-(2-methoxyanilino)-5,6-dihydro-4H-1,3-benzothiazol-7-one.
What is the SMILES notation for 2-(2-methoxyanilino)-5,6-dihydro-4H-1,3-benzothiazol-7-one?
The canonical SMILES for 2-(2-methoxyanilino)-5,6-dihydro-4H-1,3-benzothiazol-7-one is COc1ccccc1Nc1nc2c(s1)C(=O)CCC2.
What is the InChIKey of 2-(2-methoxyanilino)-5,6-dihydro-4H-1,3-benzothiazol-7-one?
The InChIKey is FWKWDAVXXAUFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-18-12-8-3-2-5-9(12)15-14-16-10-6-4-7-11(17)13(10)19-14/h2-3,5,8H,4,6-7H2,1H3,(H,15,16).
What are the key properties of 2-(2-methoxyanilino)-5,6-dihydro-4H-1,3-benzothiazol-7-one?
2-(2-methoxyanilino)-5,6-dihydro-4H-1,3-benzothiazol-7-one has a molecular weight of 274.35 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyanilino)-5,6-dihydro-4H-1,3-benzothiazol-7-one is sourced from PubChem (CID 166222120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).