1,1-dimethyl-3-[4-(4-phenylanilino)thieno[2,3-c]pyridin-2-yl]urea

C22H20N4OS — CID 58622669

IUPAC1,1-dimethyl-3-[4-(4-phenylanilino)thieno[2,3-c]pyridin-2-yl]urea
SMILESCN(C)C(=O)Nc1cc2c(Nc3ccc(-c4ccccc4)cc3)cncc2s1
InChIInChI=1S/C22H20N4OS/c1-26(2)22(27)25-21-12-18-19(13-23-14-20(18)28-21)24-17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-14,24H,1-2H3,(H,25,27)
InChIKeyZOAOYANNCXLEET-UHFFFAOYSA-N
MW388.50 g/mol
LogP5.80
Rot. Bonds4

About 1,1-dimethyl-3-[4-(4-phenylanilino)thieno[2,3-c]pyridin-2-yl]urea

1,1-dimethyl-3-[4-(4-phenylanilino)thieno[2,3-c]pyridin-2-yl]urea (PubChem CID 58622669) has the molecular formula C22H20N4OS and a molecular weight of 388.50 g/mol. Its IUPAC name is 1,1-dimethyl-3-[4-(4-phenylanilino)thieno[2,3-c]pyridin-2-yl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[4-(4-phenylanilino)thieno[2,3-c]pyridin-2-yl]urea
PubChem CID58622669
Molecular FormulaC22H20N4OS
Molecular Weight388.50 g/mol
Exact Mass388.14
IUPAC Name1,1-dimethyl-3-[4-(4-phenylanilino)thieno[2,3-c]pyridin-2-yl]urea
SMILESCN(C)C(=O)Nc1cc2c(Nc3ccc(-c4ccccc4)cc3)cncc2s1
InChIInChI=1S/C22H20N4OS/c1-26(2)22(27)25-21-12-18-19(13-23-14-20(18)28-21)24-17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-14,24H,1-2H3,(H,25,27)
InChIKeyZOAOYANNCXLEET-UHFFFAOYSA-N
XLogP5.80
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.50
LogP ≤ 55.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1,1-dimethyl-3-[4-(4-phenylanilino)thieno[2,3-c]pyridin-2-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 11775063
CID 11775063
CID 18450928
CID 18450928
CID 18450940
CID 18450940
CID 18451141
CID 18451141
CID 18451176
CID 18451176
CID 18451228
CID 18451228
CID 18451306
CID 18451306
CID 18451361
CID 18451361
CID 18451364
CID 18451364
CID 18451365
CID 18451365
CID 18451372
CID 18451372
CID 18451373
CID 18451373

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[4-(4-phenylanilino)thieno[2,3-c]pyridin-2-yl]urea?
The IUPAC name of 1,1-dimethyl-3-[4-(4-phenylanilino)thieno[2,3-c]pyridin-2-yl]urea (CID 58622669) is 1,1-dimethyl-3-[4-(4-phenylanilino)thieno[2,3-c]pyridin-2-yl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[4-(4-phenylanilino)thieno[2,3-c]pyridin-2-yl]urea?
The canonical SMILES for 1,1-dimethyl-3-[4-(4-phenylanilino)thieno[2,3-c]pyridin-2-yl]urea is CN(C)C(=O)Nc1cc2c(Nc3ccc(-c4ccccc4)cc3)cncc2s1.
What is the InChIKey of 1,1-dimethyl-3-[4-(4-phenylanilino)thieno[2,3-c]pyridin-2-yl]urea?
The InChIKey is ZOAOYANNCXLEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4OS/c1-26(2)22(27)25-21-12-18-19(13-23-14-20(18)28-21)24-17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-14,24H,1-2H3,(H,25,27).
What are the key properties of 1,1-dimethyl-3-[4-(4-phenylanilino)thieno[2,3-c]pyridin-2-yl]urea?
1,1-dimethyl-3-[4-(4-phenylanilino)thieno[2,3-c]pyridin-2-yl]urea has a molecular weight of 388.50 g/mol, XLogP of 5.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[4-(4-phenylanilino)thieno[2,3-c]pyridin-2-yl]urea is sourced from PubChem (CID 58622669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).