1-(1-methylpiperidin-4-yl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea

C15H19N5OS — CID 48749990

IUPAC1-(1-methylpiperidin-4-yl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea
SMILESCN1CCC(NC(=O)Nc2nc(-c3ccccc3)ns2)CC1
InChIInChI=1S/C15H19N5OS/c1-20-9-7-12(8-10-20)16-14(21)18-15-17-13(19-22-15)11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H2,16,17,18,19,21)
InChIKeyQBWILACOWOLDJA-UHFFFAOYSA-N
MW317.42 g/mol
LogP2.42
Rot. Bonds3

About 1-(1-methylpiperidin-4-yl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea

1-(1-methylpiperidin-4-yl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea (PubChem CID 48749990) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is 1-(1-methylpiperidin-4-yl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea.

Molecular Properties

Compound Name1-(1-methylpiperidin-4-yl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea
PubChem CID48749990
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC Name1-(1-methylpiperidin-4-yl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea
SMILESCN1CCC(NC(=O)Nc2nc(-c3ccccc3)ns2)CC1
InChIInChI=1S/C15H19N5OS/c1-20-9-7-12(8-10-20)16-14(21)18-15-17-13(19-22-15)11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H2,16,17,18,19,21)
InChIKeyQBWILACOWOLDJA-UHFFFAOYSA-N
XLogP2.42
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-4-yl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea?
The IUPAC name of 1-(1-methylpiperidin-4-yl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea (CID 48749990) is 1-(1-methylpiperidin-4-yl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea.
What is the SMILES notation for 1-(1-methylpiperidin-4-yl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea?
The canonical SMILES for 1-(1-methylpiperidin-4-yl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea is CN1CCC(NC(=O)Nc2nc(-c3ccccc3)ns2)CC1.
What is the InChIKey of 1-(1-methylpiperidin-4-yl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea?
The InChIKey is QBWILACOWOLDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS/c1-20-9-7-12(8-10-20)16-14(21)18-15-17-13(19-22-15)11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H2,16,17,18,19,21).
What are the key properties of 1-(1-methylpiperidin-4-yl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea?
1-(1-methylpiperidin-4-yl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea has a molecular weight of 317.42 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-4-yl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea is sourced from PubChem (CID 48749990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).