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

C20H22N4OS — CID 18451385

IUPAC1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-cyclohexylurea
SMILESNc1nccc2scc(-c3ccc(NC(=O)NC4CCCCC4)cc3)c12
InChIInChI=1S/C20H22N4OS/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/h6-12,14H,1-5H2,(H2,21,22)(H2,23,24,25)
InChIKeyCOIXHPWKDBPYBV-UHFFFAOYSA-N
MW366.49 g/mol
LogP5.00
Rot. Bonds3

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

1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-cyclohexylurea (PubChem CID 18451385) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is 1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-cyclohexylurea.

Molecular Properties

Compound Name1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-cyclohexylurea
PubChem CID18451385
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC Name1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-cyclohexylurea
SMILESNc1nccc2scc(-c3ccc(NC(=O)NC4CCCCC4)cc3)c12
InChIInChI=1S/C20H22N4OS/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/h6-12,14H,1-5H2,(H2,21,22)(H2,23,24,25)
InChIKeyCOIXHPWKDBPYBV-UHFFFAOYSA-N
XLogP5.00
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 55.00
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-cyclohexylurea?
The IUPAC name of 1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-cyclohexylurea (CID 18451385) is 1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-cyclohexylurea.
What is the SMILES notation for 1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-cyclohexylurea?
The canonical SMILES for 1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-cyclohexylurea 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-cyclohexylurea?
The InChIKey is COIXHPWKDBPYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/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/h6-12,14H,1-5H2,(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-cyclohexylurea?
1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-cyclohexylurea has a molecular weight of 366.49 g/mol, XLogP of 5.00, 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-cyclohexylurea is sourced from PubChem (CID 18451385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).