1-(2-hydroxy-2-methylpropyl)-1-(6-oxo-3,7-diphenylthieno[2,3-b]pyridin-2-yl)urea

C24H23N3O3S — CID 67531559

IUPAC1-(2-hydroxy-2-methylpropyl)-1-(6-oxo-3,7-diphenylthieno[2,3-b]pyridin-2-yl)urea
SMILESCC(C)(O)CN(C(N)=O)c1sc2c(ccc(=O)n2-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C24H23N3O3S/c1-24(2,30)15-26(23(25)29)22-20(16-9-5-3-6-10-16)18-13-14-19(28)27(21(18)31-22)17-11-7-4-8-12-17/h3-14,30H,15H2,1-2H3,(H2,25,29)
InChIKeyUGUVNBNWXCNILH-UHFFFAOYSA-N
MW433.53 g/mol
LogP4.38
Rot. Bonds5

About 1-(2-hydroxy-2-methylpropyl)-1-(6-oxo-3,7-diphenylthieno[2,3-b]pyridin-2-yl)urea

1-(2-hydroxy-2-methylpropyl)-1-(6-oxo-3,7-diphenylthieno[2,3-b]pyridin-2-yl)urea (PubChem CID 67531559) has the molecular formula C24H23N3O3S and a molecular weight of 433.53 g/mol. Its IUPAC name is 1-(2-hydroxy-2-methylpropyl)-1-(6-oxo-3,7-diphenylthieno[2,3-b]pyridin-2-yl)urea.

Molecular Properties

Compound Name1-(2-hydroxy-2-methylpropyl)-1-(6-oxo-3,7-diphenylthieno[2,3-b]pyridin-2-yl)urea
PubChem CID67531559
Molecular FormulaC24H23N3O3S
Molecular Weight433.53 g/mol
Exact Mass433.15
IUPAC Name1-(2-hydroxy-2-methylpropyl)-1-(6-oxo-3,7-diphenylthieno[2,3-b]pyridin-2-yl)urea
SMILESCC(C)(O)CN(C(N)=O)c1sc2c(ccc(=O)n2-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C24H23N3O3S/c1-24(2,30)15-26(23(25)29)22-20(16-9-5-3-6-10-16)18-13-14-19(28)27(21(18)31-22)17-11-7-4-8-12-17/h3-14,30H,15H2,1-2H3,(H2,25,29)
InChIKeyUGUVNBNWXCNILH-UHFFFAOYSA-N
XLogP4.38
TPSA88.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-methylpropyl)-1-(6-oxo-3,7-diphenylthieno[2,3-b]pyridin-2-yl)urea?
The IUPAC name of 1-(2-hydroxy-2-methylpropyl)-1-(6-oxo-3,7-diphenylthieno[2,3-b]pyridin-2-yl)urea (CID 67531559) is 1-(2-hydroxy-2-methylpropyl)-1-(6-oxo-3,7-diphenylthieno[2,3-b]pyridin-2-yl)urea.
What is the SMILES notation for 1-(2-hydroxy-2-methylpropyl)-1-(6-oxo-3,7-diphenylthieno[2,3-b]pyridin-2-yl)urea?
The canonical SMILES for 1-(2-hydroxy-2-methylpropyl)-1-(6-oxo-3,7-diphenylthieno[2,3-b]pyridin-2-yl)urea is CC(C)(O)CN(C(N)=O)c1sc2c(ccc(=O)n2-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 1-(2-hydroxy-2-methylpropyl)-1-(6-oxo-3,7-diphenylthieno[2,3-b]pyridin-2-yl)urea?
The InChIKey is UGUVNBNWXCNILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3S/c1-24(2,30)15-26(23(25)29)22-20(16-9-5-3-6-10-16)18-13-14-19(28)27(21(18)31-22)17-11-7-4-8-12-17/h3-14,30H,15H2,1-2H3,(H2,25,29).
What are the key properties of 1-(2-hydroxy-2-methylpropyl)-1-(6-oxo-3,7-diphenylthieno[2,3-b]pyridin-2-yl)urea?
1-(2-hydroxy-2-methylpropyl)-1-(6-oxo-3,7-diphenylthieno[2,3-b]pyridin-2-yl)urea has a molecular weight of 433.53 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-methylpropyl)-1-(6-oxo-3,7-diphenylthieno[2,3-b]pyridin-2-yl)urea is sourced from PubChem (CID 67531559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).