1-(10,10-dioxo-5H-thiochromeno[2,3-b]pyridin-5-yl)-1,3-dimethylurea

C15H15N3O3S — CID 12733220

IUPAC1-(10,10-dioxo-5H-thiochromeno[2,3-b]pyridin-5-yl)-1,3-dimethylurea
SMILESCNC(=O)N(C)C1c2ccccc2S(=O)(=O)c2ncccc21
InChIInChI=1S/C15H15N3O3S/c1-16-15(19)18(2)13-10-6-3-4-8-12(10)22(20,21)14-11(13)7-5-9-17-14/h3-9,13H,1-2H3,(H,16,19)
InChIKeyZOBDSUNINWOZSM-UHFFFAOYSA-N
MW317.37 g/mol
LogP1.59
Rot. Bonds1

About 1-(10,10-dioxo-5H-thiochromeno[2,3-b]pyridin-5-yl)-1,3-dimethylurea

1-(10,10-dioxo-5H-thiochromeno[2,3-b]pyridin-5-yl)-1,3-dimethylurea (PubChem CID 12733220) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is 1-(10,10-dioxo-5H-thiochromeno[2,3-b]pyridin-5-yl)-1,3-dimethylurea.

Molecular Properties

Compound Name1-(10,10-dioxo-5H-thiochromeno[2,3-b]pyridin-5-yl)-1,3-dimethylurea
PubChem CID12733220
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC Name1-(10,10-dioxo-5H-thiochromeno[2,3-b]pyridin-5-yl)-1,3-dimethylurea
SMILESCNC(=O)N(C)C1c2ccccc2S(=O)(=O)c2ncccc21
InChIInChI=1S/C15H15N3O3S/c1-16-15(19)18(2)13-10-6-3-4-8-12(10)22(20,21)14-11(13)7-5-9-17-14/h3-9,13H,1-2H3,(H,16,19)
InChIKeyZOBDSUNINWOZSM-UHFFFAOYSA-N
XLogP1.59
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(10,10-dioxo-5H-thiochromeno[2,3-b]pyridin-5-yl)-1,3-dimethylurea?
The IUPAC name of 1-(10,10-dioxo-5H-thiochromeno[2,3-b]pyridin-5-yl)-1,3-dimethylurea (CID 12733220) is 1-(10,10-dioxo-5H-thiochromeno[2,3-b]pyridin-5-yl)-1,3-dimethylurea.
What is the SMILES notation for 1-(10,10-dioxo-5H-thiochromeno[2,3-b]pyridin-5-yl)-1,3-dimethylurea?
The canonical SMILES for 1-(10,10-dioxo-5H-thiochromeno[2,3-b]pyridin-5-yl)-1,3-dimethylurea is CNC(=O)N(C)C1c2ccccc2S(=O)(=O)c2ncccc21.
What is the InChIKey of 1-(10,10-dioxo-5H-thiochromeno[2,3-b]pyridin-5-yl)-1,3-dimethylurea?
The InChIKey is ZOBDSUNINWOZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-16-15(19)18(2)13-10-6-3-4-8-12(10)22(20,21)14-11(13)7-5-9-17-14/h3-9,13H,1-2H3,(H,16,19).
What are the key properties of 1-(10,10-dioxo-5H-thiochromeno[2,3-b]pyridin-5-yl)-1,3-dimethylurea?
1-(10,10-dioxo-5H-thiochromeno[2,3-b]pyridin-5-yl)-1,3-dimethylurea has a molecular weight of 317.37 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(10,10-dioxo-5H-thiochromeno[2,3-b]pyridin-5-yl)-1,3-dimethylurea is sourced from PubChem (CID 12733220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).