N-(4-bromo-3-methylphenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide

C15H14BrN3O3S — CID 26736716

IUPACN-(4-bromo-3-methylphenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESCc1cc(NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)ccc1Br
InChIInChI=1S/C15H14BrN3O3S/c1-10-8-12(3-4-13(10)16)17-15(20)11-2-5-14-18-23(21,22)7-6-19(14)9-11/h2-5,8-9H,6-7H2,1H3,(H,17,20)
InChIKeyNNWFYDGKJKAFCC-UHFFFAOYSA-N
MW396.27 g/mol
LogP2.19
Rot. Bonds2

About N-(4-bromo-3-methylphenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide

N-(4-bromo-3-methylphenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (PubChem CID 26736716) has the molecular formula C15H14BrN3O3S and a molecular weight of 396.27 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
PubChem CID26736716
Molecular FormulaC15H14BrN3O3S
Molecular Weight396.27 g/mol
Exact Mass394.99
IUPAC NameN-(4-bromo-3-methylphenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESCc1cc(NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)ccc1Br
InChIInChI=1S/C15H14BrN3O3S/c1-10-8-12(3-4-13(10)16)17-15(20)11-2-5-14-18-23(21,22)7-6-19(14)9-11/h2-5,8-9H,6-7H2,1H3,(H,17,20)
InChIKeyNNWFYDGKJKAFCC-UHFFFAOYSA-N
XLogP2.19
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.27
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 30860361
dimethyl 5-[[2-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)oxyacetyl]amino]benzene-1,3-dicarboxylate
CID 55371156
(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)-[4-(2-hydroxybenzoyl)piperazin-1-yl]methanone
CID 55646254
2-bromo-N-(4-bromo-3-methylphenyl)benzamide
CID 2505928
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CID 43453090
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CID 3367172
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CID 108992487
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CID 110685830
1-(4-bromo-3-methylphenyl)-3-[3-[(4-bromo-3-methylphenyl)carbamoylamino]phenyl]urea
CID 139171111
N-(4-bromo-3-methylphenyl)-5-cyclopropyl-1,2-oxazole-4-carboxamide
CID 22418149
N-(4-bromo-3-methylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247227
N-(4-bromo-3-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;hydrochloride
CID 24747079

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (CID 26736716) is N-(4-bromo-3-methylphenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is Cc1cc(NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The InChIKey is NNWFYDGKJKAFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O3S/c1-10-8-12(3-4-13(10)16)17-15(20)11-2-5-14-18-23(21,22)7-6-19(14)9-11/h2-5,8-9H,6-7H2,1H3,(H,17,20).
What are the key properties of N-(4-bromo-3-methylphenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
N-(4-bromo-3-methylphenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide has a molecular weight of 396.27 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is sourced from PubChem (CID 26736716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).