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

C14H14N2O2S — CID 658381

IUPAC2-amino-5-(4-methoxyphenyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one
SMILESCOc1ccc(C2CC(=O)c3sc(N)nc3C2)cc1
InChIInChI=1S/C14H14N2O2S/c1-18-10-4-2-8(3-5-10)9-6-11-13(12(17)7-9)19-14(15)16-11/h2-5,9H,6-7H2,1H3,(H2,15,16)
InChIKeyLNZPFNUBYQIFIC-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.65
Rot. Bonds2

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

2-amino-5-(4-methoxyphenyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one (PubChem CID 658381) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is 2-amino-5-(4-methoxyphenyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one.

Molecular Properties

Compound Name2-amino-5-(4-methoxyphenyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one
PubChem CID658381
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC Name2-amino-5-(4-methoxyphenyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one
SMILESCOc1ccc(C2CC(=O)c3sc(N)nc3C2)cc1
InChIInChI=1S/C14H14N2O2S/c1-18-10-4-2-8(3-5-10)9-6-11-13(12(17)7-9)19-14(15)16-11/h2-5,9H,6-7H2,1H3,(H2,15,16)
InChIKeyLNZPFNUBYQIFIC-UHFFFAOYSA-N
XLogP2.65
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-methoxyphenyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one?
The IUPAC name of 2-amino-5-(4-methoxyphenyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one (CID 658381) is 2-amino-5-(4-methoxyphenyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one.
What is the SMILES notation for 2-amino-5-(4-methoxyphenyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one?
The canonical SMILES for 2-amino-5-(4-methoxyphenyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one is COc1ccc(C2CC(=O)c3sc(N)nc3C2)cc1.
What is the InChIKey of 2-amino-5-(4-methoxyphenyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one?
The InChIKey is LNZPFNUBYQIFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-18-10-4-2-8(3-5-10)9-6-11-13(12(17)7-9)19-14(15)16-11/h2-5,9H,6-7H2,1H3,(H2,15,16).
What are the key properties of 2-amino-5-(4-methoxyphenyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one?
2-amino-5-(4-methoxyphenyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one has a molecular weight of 274.35 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-methoxyphenyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one is sourced from PubChem (CID 658381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).