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

C22H19N3O3S — CID 21083978

IUPAC1-(2-hydroxyethyl)-3-(6-oxo-3,7-diphenylthieno[2,3-b]pyridin-2-yl)urea
SMILESO=C(NCCO)Nc1sc2c(ccc(=O)n2-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C22H19N3O3S/c26-14-13-23-22(28)24-20-19(15-7-3-1-4-8-15)17-11-12-18(27)25(21(17)29-20)16-9-5-2-6-10-16/h1-12,26H,13-14H2,(H2,23,24,28)
InChIKeyXUSCHAXNZSJAIM-UHFFFAOYSA-N
MW405.48 g/mol
LogP3.83
Rot. Bonds5

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

1-(2-hydroxyethyl)-3-(6-oxo-3,7-diphenylthieno[2,3-b]pyridin-2-yl)urea (PubChem CID 21083978) has the molecular formula C22H19N3O3S and a molecular weight of 405.48 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-(6-oxo-3,7-diphenylthieno[2,3-b]pyridin-2-yl)urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-(6-oxo-3,7-diphenylthieno[2,3-b]pyridin-2-yl)urea
PubChem CID21083978
Molecular FormulaC22H19N3O3S
Molecular Weight405.48 g/mol
Exact Mass405.11
IUPAC Name1-(2-hydroxyethyl)-3-(6-oxo-3,7-diphenylthieno[2,3-b]pyridin-2-yl)urea
SMILESO=C(NCCO)Nc1sc2c(ccc(=O)n2-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C22H19N3O3S/c26-14-13-23-22(28)24-20-19(15-7-3-1-4-8-15)17-11-12-18(27)25(21(17)29-20)16-9-5-2-6-10-16/h1-12,26H,13-14H2,(H2,23,24,28)
InChIKeyXUSCHAXNZSJAIM-UHFFFAOYSA-N
XLogP3.83
TPSA83.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-hydroxy-2-methylpropyl)-1-(6-oxo-3,7-diphenylthieno[2,3-b]pyridin-2-yl)urea
CID 67531559
2-(4-methylpiperazine-1-carbonyl)-3,7-diphenylthieno[2,3-b]pyridin-6-one
CID 21083982
6-oxo-7-phenyl-3-[4-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxylic acid
CID 141070337
3-amino-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid
CID 141082039
ethyl 3-(3-chlorophenyl)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylate
CID 21084015
N-(3-benzoyl-6-oxo-7-phenylthieno[2,3-b]pyridin-2-yl)-4-methylpiperazine-1-carboxamide
CID 67531475
(3R)-3-[(3-benzoyl-6-oxo-7-phenylthieno[2,3-b]pyridin-2-yl)carbamoylamino]-2-tert-butylpyrrolidine-1-carboxylic acid
CID 67533507
1-(2-hydroxyethyl)-3-(phenylcarbamoyl)urea
CID 24738766
tert-butyl (3S)-3-[(3-benzoyl-6-oxo-7-phenylthieno[2,3-b]pyridin-2-yl)carbamoylamino]pyrrolidine-1-carboxylate
CID 67533085
lithium;3-(2-cyanoanilino)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid;hydride
CID 173035344
2-amino-3-(4-methylbenzoyl)-7-phenylthieno[2,3-b]pyridin-6-one
CID 67533006
3-amino-2-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-7-phenylthieno[2,3-b]pyridin-6-one
CID 68808267

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-(6-oxo-3,7-diphenylthieno[2,3-b]pyridin-2-yl)urea?
The IUPAC name of 1-(2-hydroxyethyl)-3-(6-oxo-3,7-diphenylthieno[2,3-b]pyridin-2-yl)urea (CID 21083978) is 1-(2-hydroxyethyl)-3-(6-oxo-3,7-diphenylthieno[2,3-b]pyridin-2-yl)urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-(6-oxo-3,7-diphenylthieno[2,3-b]pyridin-2-yl)urea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-(6-oxo-3,7-diphenylthieno[2,3-b]pyridin-2-yl)urea is O=C(NCCO)Nc1sc2c(ccc(=O)n2-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 1-(2-hydroxyethyl)-3-(6-oxo-3,7-diphenylthieno[2,3-b]pyridin-2-yl)urea?
The InChIKey is XUSCHAXNZSJAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S/c26-14-13-23-22(28)24-20-19(15-7-3-1-4-8-15)17-11-12-18(27)25(21(17)29-20)16-9-5-2-6-10-16/h1-12,26H,13-14H2,(H2,23,24,28).
What are the key properties of 1-(2-hydroxyethyl)-3-(6-oxo-3,7-diphenylthieno[2,3-b]pyridin-2-yl)urea?
1-(2-hydroxyethyl)-3-(6-oxo-3,7-diphenylthieno[2,3-b]pyridin-2-yl)urea has a molecular weight of 405.48 g/mol, XLogP of 3.83, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-(6-oxo-3,7-diphenylthieno[2,3-b]pyridin-2-yl)urea is sourced from PubChem (CID 21083978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).