2-amino-N-(4-bromophenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide

C11H10BrN3O2S — CID 2886733

IUPAC2-amino-N-(4-bromophenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide
SMILESNC1=NC(=O)CC(C(=O)Nc2ccc(Br)cc2)S1
InChIInChI=1S/C11H10BrN3O2S/c12-6-1-3-7(4-2-6)14-10(17)8-5-9(16)15-11(13)18-8/h1-4,8H,5H2,(H,14,17)(H2,13,15,16)
InChIKeyUTUMYPDDRQHCNS-UHFFFAOYSA-N
MW328.19 g/mol
LogP1.73
Rot. Bonds2

About 2-amino-N-(4-bromophenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide

2-amino-N-(4-bromophenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide (PubChem CID 2886733) has the molecular formula C11H10BrN3O2S and a molecular weight of 328.19 g/mol. Its IUPAC name is 2-amino-N-(4-bromophenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-(4-bromophenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide
PubChem CID2886733
Molecular FormulaC11H10BrN3O2S
Molecular Weight328.19 g/mol
Exact Mass326.97
IUPAC Name2-amino-N-(4-bromophenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide
SMILESNC1=NC(=O)CC(C(=O)Nc2ccc(Br)cc2)S1
InChIInChI=1S/C11H10BrN3O2S/c12-6-1-3-7(4-2-6)14-10(17)8-5-9(16)15-11(13)18-8/h1-4,8H,5H2,(H,14,17)(H2,13,15,16)
InChIKeyUTUMYPDDRQHCNS-UHFFFAOYSA-N
XLogP1.73
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.19
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-bromophenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide?
The IUPAC name of 2-amino-N-(4-bromophenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide (CID 2886733) is 2-amino-N-(4-bromophenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide.
What is the SMILES notation for 2-amino-N-(4-bromophenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide?
The canonical SMILES for 2-amino-N-(4-bromophenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide is NC1=NC(=O)CC(C(=O)Nc2ccc(Br)cc2)S1.
What is the InChIKey of 2-amino-N-(4-bromophenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide?
The InChIKey is UTUMYPDDRQHCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O2S/c12-6-1-3-7(4-2-6)14-10(17)8-5-9(16)15-11(13)18-8/h1-4,8H,5H2,(H,14,17)(H2,13,15,16).
What are the key properties of 2-amino-N-(4-bromophenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide?
2-amino-N-(4-bromophenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide has a molecular weight of 328.19 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-bromophenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide is sourced from PubChem (CID 2886733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).