[1-(4-methylanilino)-1-oxopropan-2-yl] 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate

C18H19N3O5S — CID 17485884

IUPAC[1-(4-methylanilino)-1-oxopropan-2-yl] 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate
SMILESCc1ccc(NC(=O)C(C)OC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cc1
InChIInChI=1S/C18H19N3O5S/c1-12-3-6-15(7-4-12)19-17(22)13(2)26-18(23)14-5-8-16-20-27(24,25)10-9-21(16)11-14/h3-8,11,13H,9-10H2,1-2H3,(H,19,22)
InChIKeyINVLXVGKFSOWKV-UHFFFAOYSA-N
MW389.43 g/mol
LogP1.36
Rot. Bonds4

About [1-(4-methylanilino)-1-oxopropan-2-yl] 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate

[1-(4-methylanilino)-1-oxopropan-2-yl] 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate (PubChem CID 17485884) has the molecular formula C18H19N3O5S and a molecular weight of 389.43 g/mol. Its IUPAC name is [1-(4-methylanilino)-1-oxopropan-2-yl] 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate.

Molecular Properties

Compound Name[1-(4-methylanilino)-1-oxopropan-2-yl] 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate
PubChem CID17485884
Molecular FormulaC18H19N3O5S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC Name[1-(4-methylanilino)-1-oxopropan-2-yl] 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate
SMILESCc1ccc(NC(=O)C(C)OC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cc1
InChIInChI=1S/C18H19N3O5S/c1-12-3-6-15(7-4-12)19-17(22)13(2)26-18(23)14-5-8-16-20-27(24,25)10-9-21(16)11-14/h3-8,11,13H,9-10H2,1-2H3,(H,19,22)
InChIKeyINVLXVGKFSOWKV-UHFFFAOYSA-N
XLogP1.36
TPSA105.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-(4-methylanilino)-1-oxopropan-2-yl] 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate with MolForge

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Related Compounds

[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate
CID 45355582
[1-(4-methylanilino)-1-oxopropan-2-yl] 2-bromobenzoate
CID 4613859
ethyl 3-[(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)amino]propanoate
CID 47081113
[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 2,3-dimethylbenzoate
CID 2534576
N-[[2-(ethoxymethyl)phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 46598218
[(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 4-methylbenzoate
CID 7972023
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] pyridine-2-carboxylate
CID 7477255
[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-(4-methylbenzoyl)benzoate
CID 7718055
N-[(2,3-dichlorophenyl)methyl]-N-methyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 27773653
[1-(4-methylanilino)-1-oxopropan-2-yl] 2-chloropyridine-4-carboxylate
CID 23887941
[1-(4-fluoroanilino)-1-oxopropan-2-yl] 2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxylate
CID 17422309
[(2S)-1-anilino-1-oxopropan-2-yl] 4-methylbenzoate
CID 2506398

Frequently Asked Questions

What is the IUPAC name of [1-(4-methylanilino)-1-oxopropan-2-yl] 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate?
The IUPAC name of [1-(4-methylanilino)-1-oxopropan-2-yl] 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate (CID 17485884) is [1-(4-methylanilino)-1-oxopropan-2-yl] 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate.
What is the SMILES notation for [1-(4-methylanilino)-1-oxopropan-2-yl] 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate?
The canonical SMILES for [1-(4-methylanilino)-1-oxopropan-2-yl] 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate is Cc1ccc(NC(=O)C(C)OC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cc1.
What is the InChIKey of [1-(4-methylanilino)-1-oxopropan-2-yl] 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate?
The InChIKey is INVLXVGKFSOWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5S/c1-12-3-6-15(7-4-12)19-17(22)13(2)26-18(23)14-5-8-16-20-27(24,25)10-9-21(16)11-14/h3-8,11,13H,9-10H2,1-2H3,(H,19,22).
What are the key properties of [1-(4-methylanilino)-1-oxopropan-2-yl] 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate?
[1-(4-methylanilino)-1-oxopropan-2-yl] 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate has a molecular weight of 389.43 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylanilino)-1-oxopropan-2-yl] 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate is sourced from PubChem (CID 17485884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).