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

C15H17N3O3S2 — CID 55974068

IUPAC2,2-dioxo-N-(1-thiophen-3-ylpropan-2-yl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESCC(Cc1ccsc1)NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1
InChIInChI=1S/C15H17N3O3S2/c1-11(8-12-4-6-22-10-12)16-15(19)13-2-3-14-17-23(20,21)7-5-18(14)9-13/h2-4,6,9-11H,5,7-8H2,1H3,(H,16,19)
InChIKeyPHRUHHDYNYMIEV-UHFFFAOYSA-N
MW351.45 g/mol
LogP1.29
Rot. Bonds4

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

2,2-dioxo-N-(1-thiophen-3-ylpropan-2-yl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (PubChem CID 55974068) has the molecular formula C15H17N3O3S2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2,2-dioxo-N-(1-thiophen-3-ylpropan-2-yl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.

Molecular Properties

Compound Name2,2-dioxo-N-(1-thiophen-3-ylpropan-2-yl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
PubChem CID55974068
Molecular FormulaC15H17N3O3S2
Molecular Weight351.45 g/mol
Exact Mass351.07
IUPAC Name2,2-dioxo-N-(1-thiophen-3-ylpropan-2-yl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESCC(Cc1ccsc1)NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1
InChIInChI=1S/C15H17N3O3S2/c1-11(8-12-4-6-22-10-12)16-15(19)13-2-3-14-17-23(20,21)7-5-18(14)9-13/h2-4,6,9-11H,5,7-8H2,1H3,(H,16,19)
InChIKeyPHRUHHDYNYMIEV-UHFFFAOYSA-N
XLogP1.29
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dioxo-N-(1-thiophen-3-ylpropan-2-yl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The IUPAC name of 2,2-dioxo-N-(1-thiophen-3-ylpropan-2-yl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (CID 55974068) is 2,2-dioxo-N-(1-thiophen-3-ylpropan-2-yl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.
What is the SMILES notation for 2,2-dioxo-N-(1-thiophen-3-ylpropan-2-yl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The canonical SMILES for 2,2-dioxo-N-(1-thiophen-3-ylpropan-2-yl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is CC(Cc1ccsc1)NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1.
What is the InChIKey of 2,2-dioxo-N-(1-thiophen-3-ylpropan-2-yl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The InChIKey is PHRUHHDYNYMIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S2/c1-11(8-12-4-6-22-10-12)16-15(19)13-2-3-14-17-23(20,21)7-5-18(14)9-13/h2-4,6,9-11H,5,7-8H2,1H3,(H,16,19).
What are the key properties of 2,2-dioxo-N-(1-thiophen-3-ylpropan-2-yl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
2,2-dioxo-N-(1-thiophen-3-ylpropan-2-yl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dioxo-N-(1-thiophen-3-ylpropan-2-yl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is sourced from PubChem (CID 55974068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).