2-(2-amino-1,3-thiazol-4-yl)-1-(2,3-dihydro-1,4-benzothiazin-4-yl)ethanone

C13H13N3OS2 — CID 62798044

IUPAC2-(2-amino-1,3-thiazol-4-yl)-1-(2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
SMILESNc1nc(CC(=O)N2CCSc3ccccc32)cs1
InChIInChI=1S/C13H13N3OS2/c14-13-15-9(8-19-13)7-12(17)16-5-6-18-11-4-2-1-3-10(11)16/h1-4,8H,5-7H2,(H2,14,15)
InChIKeyXSLGRWOLNYVABM-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.41
Rot. Bonds2

About 2-(2-amino-1,3-thiazol-4-yl)-1-(2,3-dihydro-1,4-benzothiazin-4-yl)ethanone

2-(2-amino-1,3-thiazol-4-yl)-1-(2,3-dihydro-1,4-benzothiazin-4-yl)ethanone (PubChem CID 62798044) has the molecular formula C13H13N3OS2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-1-(2,3-dihydro-1,4-benzothiazin-4-yl)ethanone.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-1-(2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
PubChem CID62798044
Molecular FormulaC13H13N3OS2
Molecular Weight291.40 g/mol
Exact Mass291.05
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-1-(2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
SMILESNc1nc(CC(=O)N2CCSc3ccccc32)cs1
InChIInChI=1S/C13H13N3OS2/c14-13-15-9(8-19-13)7-12(17)16-5-6-18-11-4-2-1-3-10(11)16/h1-4,8H,5-7H2,(H2,14,15)
InChIKeyXSLGRWOLNYVABM-UHFFFAOYSA-N
XLogP2.41
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-1-(2,3-dihydro-1,4-benzothiazin-4-yl)ethanone?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-1-(2,3-dihydro-1,4-benzothiazin-4-yl)ethanone (CID 62798044) is 2-(2-amino-1,3-thiazol-4-yl)-1-(2,3-dihydro-1,4-benzothiazin-4-yl)ethanone.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-1-(2,3-dihydro-1,4-benzothiazin-4-yl)ethanone?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-1-(2,3-dihydro-1,4-benzothiazin-4-yl)ethanone is Nc1nc(CC(=O)N2CCSc3ccccc32)cs1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-1-(2,3-dihydro-1,4-benzothiazin-4-yl)ethanone?
The InChIKey is XSLGRWOLNYVABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS2/c14-13-15-9(8-19-13)7-12(17)16-5-6-18-11-4-2-1-3-10(11)16/h1-4,8H,5-7H2,(H2,14,15).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-1-(2,3-dihydro-1,4-benzothiazin-4-yl)ethanone?
2-(2-amino-1,3-thiazol-4-yl)-1-(2,3-dihydro-1,4-benzothiazin-4-yl)ethanone has a molecular weight of 291.40 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)-1-(2,3-dihydro-1,4-benzothiazin-4-yl)ethanone is sourced from PubChem (CID 62798044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).