1-[4-(4-amino-7-thiophen-3-ylthieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methylphenyl)urea

C25H20N4OS2 — CID 18451228

IUPAC1-[4-(4-amino-7-thiophen-3-ylthieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5ccsc5)cnc(N)c34)cc2)c1
InChIInChI=1S/C25H20N4OS2/c1-15-3-2-4-19(11-15)29-25(30)28-18-7-5-16(6-8-18)21-14-32-23-20(17-9-10-31-13-17)12-27-24(26)22(21)23/h2-14H,1H3,(H2,26,27)(H2,28,29,30)
InChIKeyALBFRPATCDNTBG-UHFFFAOYSA-N
MW456.60 g/mol
LogP7.23
Rot. Bonds4

About 1-[4-(4-amino-7-thiophen-3-ylthieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methylphenyl)urea

1-[4-(4-amino-7-thiophen-3-ylthieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methylphenyl)urea (PubChem CID 18451228) has the molecular formula C25H20N4OS2 and a molecular weight of 456.60 g/mol. Its IUPAC name is 1-[4-(4-amino-7-thiophen-3-ylthieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-[4-(4-amino-7-thiophen-3-ylthieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methylphenyl)urea
PubChem CID18451228
Molecular FormulaC25H20N4OS2
Molecular Weight456.60 g/mol
Exact Mass456.11
IUPAC Name1-[4-(4-amino-7-thiophen-3-ylthieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5ccsc5)cnc(N)c34)cc2)c1
InChIInChI=1S/C25H20N4OS2/c1-15-3-2-4-19(11-15)29-25(30)28-18-7-5-16(6-8-18)21-14-32-23-20(17-9-10-31-13-17)12-27-24(26)22(21)23/h2-14H,1H3,(H2,26,27)(H2,28,29,30)
InChIKeyALBFRPATCDNTBG-UHFFFAOYSA-N
XLogP7.23
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.60
LogP ≤ 57.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[4-(4-amino-7-thiophen-3-ylthieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methylphenyl)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-(4-amino-7-thiophen-3-ylthieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methylphenyl)urea?
The IUPAC name of 1-[4-(4-amino-7-thiophen-3-ylthieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methylphenyl)urea (CID 18451228) is 1-[4-(4-amino-7-thiophen-3-ylthieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-[4-(4-amino-7-thiophen-3-ylthieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methylphenyl)urea?
The canonical SMILES for 1-[4-(4-amino-7-thiophen-3-ylthieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methylphenyl)urea is Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5ccsc5)cnc(N)c34)cc2)c1.
What is the InChIKey of 1-[4-(4-amino-7-thiophen-3-ylthieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methylphenyl)urea?
The InChIKey is ALBFRPATCDNTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4OS2/c1-15-3-2-4-19(11-15)29-25(30)28-18-7-5-16(6-8-18)21-14-32-23-20(17-9-10-31-13-17)12-27-24(26)22(21)23/h2-14H,1H3,(H2,26,27)(H2,28,29,30).
What are the key properties of 1-[4-(4-amino-7-thiophen-3-ylthieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methylphenyl)urea?
1-[4-(4-amino-7-thiophen-3-ylthieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methylphenyl)urea has a molecular weight of 456.60 g/mol, XLogP of 7.23, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-amino-7-thiophen-3-ylthieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methylphenyl)urea is sourced from PubChem (CID 18451228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).