(6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone

C14H15N3O3S — CID 66157319

IUPAC(6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
SMILESCOCc1cc(C(=O)N2CCSc3ccc(N)cc32)no1
InChIInChI=1S/C14H15N3O3S/c1-19-8-10-7-11(16-20-10)14(18)17-4-5-21-13-3-2-9(15)6-12(13)17/h2-3,6-7H,4-5,8,15H2,1H3
InChIKeyHCTDPHNGFIRNKM-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.16
Rot. Bonds3

About (6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone

(6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone (PubChem CID 66157319) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is (6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name(6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
PubChem CID66157319
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name(6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
SMILESCOCc1cc(C(=O)N2CCSc3ccc(N)cc32)no1
InChIInChI=1S/C14H15N3O3S/c1-19-8-10-7-11(16-20-10)14(18)17-4-5-21-13-3-2-9(15)6-12(13)17/h2-3,6-7H,4-5,8,15H2,1H3
InChIKeyHCTDPHNGFIRNKM-UHFFFAOYSA-N
XLogP2.16
TPSA81.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone?
The IUPAC name of (6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone (CID 66157319) is (6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for (6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone?
The canonical SMILES for (6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone is COCc1cc(C(=O)N2CCSc3ccc(N)cc32)no1.
What is the InChIKey of (6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone?
The InChIKey is HCTDPHNGFIRNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-19-8-10-7-11(16-20-10)14(18)17-4-5-21-13-3-2-9(15)6-12(13)17/h2-3,6-7H,4-5,8,15H2,1H3.
What are the key properties of (6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone?
(6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone has a molecular weight of 305.36 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 66157319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).