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

C13H13N3O3S2 — CID 32983128

IUPAC2,2-dioxo-N-(thiophen-2-ylmethyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESO=C(NCc1cccs1)C1=CN2CCS(=O)(=O)N=C2C=C1
InChIInChI=1S/C13H13N3O3S2/c17-13(14-8-11-2-1-6-20-11)10-3-4-12-15-21(18,19)7-5-16(12)9-10/h1-4,6,9H,5,7-8H2,(H,14,17)
InChIKeyNQXSKVCSTXTMBQ-UHFFFAOYSA-N
MW323.40 g/mol
LogP0.86
Rot. Bonds3

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

2,2-dioxo-N-(thiophen-2-ylmethyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (PubChem CID 32983128) has the molecular formula C13H13N3O3S2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2,2-dioxo-N-(thiophen-2-ylmethyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.

Molecular Properties

Compound Name2,2-dioxo-N-(thiophen-2-ylmethyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
PubChem CID32983128
Molecular FormulaC13H13N3O3S2
Molecular Weight323.40 g/mol
Exact Mass323.04
IUPAC Name2,2-dioxo-N-(thiophen-2-ylmethyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESO=C(NCc1cccs1)C1=CN2CCS(=O)(=O)N=C2C=C1
InChIInChI=1S/C13H13N3O3S2/c17-13(14-8-11-2-1-6-20-11)10-3-4-12-15-21(18,19)7-5-16(12)9-10/h1-4,6,9H,5,7-8H2,(H,14,17)
InChIKeyNQXSKVCSTXTMBQ-UHFFFAOYSA-N
XLogP0.86
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-2,2-dioxo-N-(thiophen-2-ylmethyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 60533958
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749
2-(thiophen-2-ylmethylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116696608
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
6-(thiophen-2-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 43558368
3-(thiophen-2-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 3237026
2-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 3580913
N-(thiophen-2-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 29447949
6-fluoro-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 115496761
2,5-dimethyl-N-(thiophen-2-ylmethyl)-1H-imidazole-4-carboxamide
CID 126820136
5,5-dioxo-N-(thiophen-2-ylmethyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide
CID 3238829
N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 134791397

Frequently Asked Questions

What is the IUPAC name of 2,2-dioxo-N-(thiophen-2-ylmethyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The IUPAC name of 2,2-dioxo-N-(thiophen-2-ylmethyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (CID 32983128) is 2,2-dioxo-N-(thiophen-2-ylmethyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.
What is the SMILES notation for 2,2-dioxo-N-(thiophen-2-ylmethyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The canonical SMILES for 2,2-dioxo-N-(thiophen-2-ylmethyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is O=C(NCc1cccs1)C1=CN2CCS(=O)(=O)N=C2C=C1.
What is the InChIKey of 2,2-dioxo-N-(thiophen-2-ylmethyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The InChIKey is NQXSKVCSTXTMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S2/c17-13(14-8-11-2-1-6-20-11)10-3-4-12-15-21(18,19)7-5-16(12)9-10/h1-4,6,9H,5,7-8H2,(H,14,17).
What are the key properties of 2,2-dioxo-N-(thiophen-2-ylmethyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
2,2-dioxo-N-(thiophen-2-ylmethyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dioxo-N-(thiophen-2-ylmethyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is sourced from PubChem (CID 32983128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).