1-(4-methoxyphenyl)-3-(4-thieno[3,2-b]pyridin-7-ylsulfanylphenyl)urea

C21H17N3O2S2 — CID 122188123

IUPAC1-(4-methoxyphenyl)-3-(4-thieno[3,2-b]pyridin-7-ylsulfanylphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc(Sc3ccnc4ccsc34)cc2)cc1
InChIInChI=1S/C21H17N3O2S2/c1-26-16-6-2-14(3-7-16)23-21(25)24-15-4-8-17(9-5-15)28-19-10-12-22-18-11-13-27-20(18)19/h2-13H,1H3,(H2,23,24,25)
InChIKeyZMFAPJSRMGVMHW-UHFFFAOYSA-N
MW407.52 g/mol
LogP6.10
Rot. Bonds5

About 1-(4-methoxyphenyl)-3-(4-thieno[3,2-b]pyridin-7-ylsulfanylphenyl)urea

1-(4-methoxyphenyl)-3-(4-thieno[3,2-b]pyridin-7-ylsulfanylphenyl)urea (PubChem CID 122188123) has the molecular formula C21H17N3O2S2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-(4-thieno[3,2-b]pyridin-7-ylsulfanylphenyl)urea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-(4-thieno[3,2-b]pyridin-7-ylsulfanylphenyl)urea
PubChem CID122188123
Molecular FormulaC21H17N3O2S2
Molecular Weight407.52 g/mol
Exact Mass407.08
IUPAC Name1-(4-methoxyphenyl)-3-(4-thieno[3,2-b]pyridin-7-ylsulfanylphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc(Sc3ccnc4ccsc34)cc2)cc1
InChIInChI=1S/C21H17N3O2S2/c1-26-16-6-2-14(3-7-16)23-21(25)24-15-4-8-17(9-5-15)28-19-10-12-22-18-11-13-27-20(18)19/h2-13H,1H3,(H2,23,24,25)
InChIKeyZMFAPJSRMGVMHW-UHFFFAOYSA-N
XLogP6.10
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.52
LogP ≤ 56.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(4-methoxyphenyl)-3-(4-thieno[3,2-b]pyridin-7-ylsulfanylphenyl)urea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-(4-thieno[3,2-b]pyridin-7-ylsulfanylphenyl)urea?
The IUPAC name of 1-(4-methoxyphenyl)-3-(4-thieno[3,2-b]pyridin-7-ylsulfanylphenyl)urea (CID 122188123) is 1-(4-methoxyphenyl)-3-(4-thieno[3,2-b]pyridin-7-ylsulfanylphenyl)urea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-(4-thieno[3,2-b]pyridin-7-ylsulfanylphenyl)urea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-(4-thieno[3,2-b]pyridin-7-ylsulfanylphenyl)urea is COc1ccc(NC(=O)Nc2ccc(Sc3ccnc4ccsc34)cc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-(4-thieno[3,2-b]pyridin-7-ylsulfanylphenyl)urea?
The InChIKey is ZMFAPJSRMGVMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2S2/c1-26-16-6-2-14(3-7-16)23-21(25)24-15-4-8-17(9-5-15)28-19-10-12-22-18-11-13-27-20(18)19/h2-13H,1H3,(H2,23,24,25).
What are the key properties of 1-(4-methoxyphenyl)-3-(4-thieno[3,2-b]pyridin-7-ylsulfanylphenyl)urea?
1-(4-methoxyphenyl)-3-(4-thieno[3,2-b]pyridin-7-ylsulfanylphenyl)urea has a molecular weight of 407.52 g/mol, XLogP of 6.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-(4-thieno[3,2-b]pyridin-7-ylsulfanylphenyl)urea is sourced from PubChem (CID 122188123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).