1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-phenylurea

C20H16N4OS — CID 18451389

IUPAC1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-phenylurea
SMILESNc1nccc2scc(-c3ccc(NC(=O)Nc4ccccc4)cc3)c12
InChIInChI=1S/C20H16N4OS/c21-19-18-16(12-26-17(18)10-11-22-19)13-6-8-15(9-7-13)24-20(25)23-14-4-2-1-3-5-14/h1-12H,(H2,21,22)(H2,23,24,25)
InChIKeyYQQLLLJHDXFGPW-UHFFFAOYSA-N
MW360.44 g/mol
LogP5.19
Rot. Bonds3

About 1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-phenylurea

1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-phenylurea (PubChem CID 18451389) has the molecular formula C20H16N4OS and a molecular weight of 360.44 g/mol. Its IUPAC name is 1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-phenylurea
PubChem CID18451389
Molecular FormulaC20H16N4OS
Molecular Weight360.44 g/mol
Exact Mass360.10
IUPAC Name1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-phenylurea
SMILESNc1nccc2scc(-c3ccc(NC(=O)Nc4ccccc4)cc3)c12
InChIInChI=1S/C20H16N4OS/c21-19-18-16(12-26-17(18)10-11-22-19)13-6-8-15(9-7-13)24-20(25)23-14-4-2-1-3-5-14/h1-12H,(H2,21,22)(H2,23,24,25)
InChIKeyYQQLLLJHDXFGPW-UHFFFAOYSA-N
XLogP5.19
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.44
LogP ≤ 55.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-(4-methylphenyl)urea
CID 18451383
N-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]acetamide
CID 18451353
methyl 3-[[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]carbamoylamino]benzoate
CID 18450886
1-[4-[4-amino-7-(furan-3-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(2-fluorophenyl)urea
CID 18451197
1-[4-[4-amino-7-(3-aminophenyl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(3-methylphenyl)urea
CID 18451144
1-[4-(3-amino-1,2-benzothiazol-4-yl)phenyl]-3-(3-chlorophenyl)urea
CID 66681363
1-[4-[4-amino-7-(3-methylsulfonylphenyl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(3-methylphenyl)urea
CID 18451206
methyl 4-amino-3-[4-[[3-(aminomethyl)phenyl]carbamoylamino]phenyl]thieno[3,2-c]pyridine-7-carboxylate
CID 150476831
1-[4-[4-amino-7-(1,3-benzodioxol-5-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(3-chlorophenyl)urea
CID 18450970
1-[4-[4-amino-7-(3-phenoxyprop-1-ynyl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(3-methylphenyl)urea
CID 18451214
1-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3-phenylurea
CID 108784173
1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-3-butylurea
CID 6539986

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-phenylurea?
The IUPAC name of 1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-phenylurea (CID 18451389) is 1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-phenylurea.
What is the SMILES notation for 1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-phenylurea?
The canonical SMILES for 1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-phenylurea is Nc1nccc2scc(-c3ccc(NC(=O)Nc4ccccc4)cc3)c12.
What is the InChIKey of 1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-phenylurea?
The InChIKey is YQQLLLJHDXFGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4OS/c21-19-18-16(12-26-17(18)10-11-22-19)13-6-8-15(9-7-13)24-20(25)23-14-4-2-1-3-5-14/h1-12H,(H2,21,22)(H2,23,24,25).
What are the key properties of 1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-phenylurea?
1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-phenylurea has a molecular weight of 360.44 g/mol, XLogP of 5.19, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-phenylurea is sourced from PubChem (CID 18451389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).