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

C20H15ClN4OS — CID 18450541

IUPAC1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-chlorophenyl)urea
SMILESNc1nccc2scc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c12
InChIInChI=1S/C20H15ClN4OS/c21-13-2-1-3-15(10-13)25-20(26)24-14-6-4-12(5-7-14)16-11-27-17-8-9-23-19(22)18(16)17/h1-11H,(H2,22,23)(H2,24,25,26)
InChIKeyUWDBNTXEKYRMSG-UHFFFAOYSA-N
MW394.89 g/mol
LogP5.84
Rot. Bonds3

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

1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-chlorophenyl)urea (PubChem CID 18450541) has the molecular formula C20H15ClN4OS and a molecular weight of 394.89 g/mol. Its IUPAC name is 1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-chlorophenyl)urea.

Molecular Properties

Compound Name1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-chlorophenyl)urea
PubChem CID18450541
Molecular FormulaC20H15ClN4OS
Molecular Weight394.89 g/mol
Exact Mass394.07
IUPAC Name1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-chlorophenyl)urea
SMILESNc1nccc2scc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c12
InChIInChI=1S/C20H15ClN4OS/c21-13-2-1-3-15(10-13)25-20(26)24-14-6-4-12(5-7-14)16-11-27-17-8-9-23-19(22)18(16)17/h1-11H,(H2,22,23)(H2,24,25,26)
InChIKeyUWDBNTXEKYRMSG-UHFFFAOYSA-N
XLogP5.84
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.89
LogP ≤ 55.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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-(3-chlorophenyl)urea?
The IUPAC name of 1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-chlorophenyl)urea (CID 18450541) is 1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-chlorophenyl)urea.
What is the SMILES notation for 1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-chlorophenyl)urea?
The canonical SMILES for 1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-chlorophenyl)urea is Nc1nccc2scc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c12.
What is the InChIKey of 1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-chlorophenyl)urea?
The InChIKey is UWDBNTXEKYRMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4OS/c21-13-2-1-3-15(10-13)25-20(26)24-14-6-4-12(5-7-14)16-11-27-17-8-9-23-19(22)18(16)17/h1-11H,(H2,22,23)(H2,24,25,26).
What are the key properties of 1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-chlorophenyl)urea?
1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-chlorophenyl)urea has a molecular weight of 394.89 g/mol, XLogP of 5.84, 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-(3-chlorophenyl)urea is sourced from PubChem (CID 18450541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).