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

C13H15N3O2S — CID 2887095

IUPAC2-amino-N-(4-ethylphenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide
SMILESCCc1ccc(NC(=O)C2CC(=O)N=C(N)S2)cc1
InChIInChI=1S/C13H15N3O2S/c1-2-8-3-5-9(6-4-8)15-12(18)10-7-11(17)16-13(14)19-10/h3-6,10H,2,7H2,1H3,(H,15,18)(H2,14,16,17)
InChIKeyDLULPFLQXSPPHR-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.53
Rot. Bonds3

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

2-amino-N-(4-ethylphenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide (PubChem CID 2887095) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-amino-N-(4-ethylphenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-(4-ethylphenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide
PubChem CID2887095
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name2-amino-N-(4-ethylphenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide
SMILESCCc1ccc(NC(=O)C2CC(=O)N=C(N)S2)cc1
InChIInChI=1S/C13H15N3O2S/c1-2-8-3-5-9(6-4-8)15-12(18)10-7-11(17)16-13(14)19-10/h3-6,10H,2,7H2,1H3,(H,15,18)(H2,14,16,17)
InChIKeyDLULPFLQXSPPHR-UHFFFAOYSA-N
XLogP1.53
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.53
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-ethylphenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide?
The IUPAC name of 2-amino-N-(4-ethylphenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide (CID 2887095) is 2-amino-N-(4-ethylphenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide.
What is the SMILES notation for 2-amino-N-(4-ethylphenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide?
The canonical SMILES for 2-amino-N-(4-ethylphenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide is CCc1ccc(NC(=O)C2CC(=O)N=C(N)S2)cc1.
What is the InChIKey of 2-amino-N-(4-ethylphenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide?
The InChIKey is DLULPFLQXSPPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-2-8-3-5-9(6-4-8)15-12(18)10-7-11(17)16-13(14)19-10/h3-6,10H,2,7H2,1H3,(H,15,18)(H2,14,16,17).
What are the key properties of 2-amino-N-(4-ethylphenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide?
2-amino-N-(4-ethylphenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide has a molecular weight of 277.35 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-ethylphenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide is sourced from PubChem (CID 2887095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).