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

C18H14N4OS2 — CID 18451391

IUPAC1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-thiophen-3-ylurea
SMILESNc1nccc2scc(-c3ccc(NC(=O)Nc4ccsc4)cc3)c12
InChIInChI=1S/C18H14N4OS2/c19-17-16-14(10-25-15(16)5-7-20-17)11-1-3-12(4-2-11)21-18(23)22-13-6-8-24-9-13/h1-10H,(H2,19,20)(H2,21,22,23)
InChIKeyZYKJTRDHLUBWPF-UHFFFAOYSA-N
MW366.47 g/mol
LogP5.25
Rot. Bonds3

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

1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-thiophen-3-ylurea (PubChem CID 18451391) has the molecular formula C18H14N4OS2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-thiophen-3-ylurea.

Molecular Properties

Compound Name1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-thiophen-3-ylurea
PubChem CID18451391
Molecular FormulaC18H14N4OS2
Molecular Weight366.47 g/mol
Exact Mass366.06
IUPAC Name1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-thiophen-3-ylurea
SMILESNc1nccc2scc(-c3ccc(NC(=O)Nc4ccsc4)cc3)c12
InChIInChI=1S/C18H14N4OS2/c19-17-16-14(10-25-15(16)5-7-20-17)11-1-3-12(4-2-11)21-18(23)22-13-6-8-24-9-13/h1-10H,(H2,19,20)(H2,21,22,23)
InChIKeyZYKJTRDHLUBWPF-UHFFFAOYSA-N
XLogP5.25
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.47
LogP ≤ 55.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-thiophen-3-ylurea?
The IUPAC name of 1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-thiophen-3-ylurea (CID 18451391) is 1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-thiophen-3-ylurea.
What is the SMILES notation for 1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-thiophen-3-ylurea?
The canonical SMILES for 1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-thiophen-3-ylurea is Nc1nccc2scc(-c3ccc(NC(=O)Nc4ccsc4)cc3)c12.
What is the InChIKey of 1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-thiophen-3-ylurea?
The InChIKey is ZYKJTRDHLUBWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4OS2/c19-17-16-14(10-25-15(16)5-7-20-17)11-1-3-12(4-2-11)21-18(23)22-13-6-8-24-9-13/h1-10H,(H2,19,20)(H2,21,22,23).
What are the key properties of 1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-thiophen-3-ylurea?
1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-thiophen-3-ylurea has a molecular weight of 366.47 g/mol, XLogP of 5.25, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-thiophen-3-ylurea is sourced from PubChem (CID 18451391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).