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

C20H15FN4OS — CID 18451372

IUPAC1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-fluorophenyl)urea
SMILESNc1nccc2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12
InChIInChI=1S/C20H15FN4OS/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)
InChIKeyRIUZPIBUSOHUKF-UHFFFAOYSA-N
MW378.43 g/mol
LogP5.33
Rot. Bonds3

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

1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-fluorophenyl)urea (PubChem CID 18451372) has the molecular formula C20H15FN4OS and a molecular weight of 378.43 g/mol. Its IUPAC name is 1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-fluorophenyl)urea.

Molecular Properties

Compound Name1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-fluorophenyl)urea
PubChem CID18451372
Molecular FormulaC20H15FN4OS
Molecular Weight378.43 g/mol
Exact Mass378.10
IUPAC Name1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-fluorophenyl)urea
SMILESNc1nccc2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12
InChIInChI=1S/C20H15FN4OS/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)
InChIKeyRIUZPIBUSOHUKF-UHFFFAOYSA-N
XLogP5.33
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.43
LogP ≤ 55.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Ilorasertib
CID 46207586
7-Fluoro-2-oxo-4-(2-(4-(thieno(3,2-c)pyridin-4-yl)piperazin-1-yl)ethyl)-1,2-dihydroquinoline-1-acetamide
CID 9869105
Thienopyrimidine deriv. 16
CID 6539993
Thienopyrimidine deriv. 17
CID 6539994
Thienopyrimidine deriv. 18
CID 6539995
Thienopyrimidine deriv. 82
CID 6540015
Thienopyrimidine deriv. 83
CID 6540016
Thienopyrimidine deriv. 88
CID 6540021
Thienopyrimidine deriv. 91
CID 6540024
1-[4-(4-Aminothieno[2,3-D]pyrimidin-5-Yl)phenyl]-3-[2-Fluoro-5-(Trifluoromethyl)phenyl]urea
CID 9868229
1-[5-(4-Aminothieno[3,2-C]pyridin-3-Yl)-2,3-Dihydro-1h-Indol-1-Yl]-2-Phenylethanone
CID 53466728
1-(4-(4-Amino-7-(pyrimidin-5-yl)thieno[3,2-c]pyridin-3-yl)phenyl)-3-m-tolylurea
CID 11430894

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-fluorophenyl)urea?
The IUPAC name of 1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-fluorophenyl)urea (CID 18451372) is 1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-fluorophenyl)urea.
What is the SMILES notation for 1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-fluorophenyl)urea?
The canonical SMILES for 1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-fluorophenyl)urea is Nc1nccc2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12.
What is the InChIKey of 1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-fluorophenyl)urea?
The InChIKey is RIUZPIBUSOHUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4OS/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-fluorophenyl)urea?
1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-fluorophenyl)urea has a molecular weight of 378.43 g/mol, XLogP of 5.33, 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-fluorophenyl)urea is sourced from PubChem (CID 18451372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).