1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-[(2-oxopiperidin-4-yl)methyl]urea

C12H17N5O2S — CID 154847218

IUPAC1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-[(2-oxopiperidin-4-yl)methyl]urea
SMILESO=C1CC(CNC(=O)Nc2nc(C3CC3)ns2)CCN1
InChIInChI=1S/C12H17N5O2S/c18-9-5-7(3-4-13-9)6-14-11(19)16-12-15-10(17-20-12)8-1-2-8/h7-8H,1-6H2,(H,13,18)(H2,14,15,16,17,19)
InChIKeyOIDLODWVJPOECH-UHFFFAOYSA-N
MW295.37 g/mol
LogP1.06
Rot. Bonds4

About 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-[(2-oxopiperidin-4-yl)methyl]urea

1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-[(2-oxopiperidin-4-yl)methyl]urea (PubChem CID 154847218) has the molecular formula C12H17N5O2S and a molecular weight of 295.37 g/mol. Its IUPAC name is 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-[(2-oxopiperidin-4-yl)methyl]urea.

Molecular Properties

Compound Name1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-[(2-oxopiperidin-4-yl)methyl]urea
PubChem CID154847218
Molecular FormulaC12H17N5O2S
Molecular Weight295.37 g/mol
Exact Mass295.11
IUPAC Name1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-[(2-oxopiperidin-4-yl)methyl]urea
SMILESO=C1CC(CNC(=O)Nc2nc(C3CC3)ns2)CCN1
InChIInChI=1S/C12H17N5O2S/c18-9-5-7(3-4-13-9)6-14-11(19)16-12-15-10(17-20-12)8-1-2-8/h7-8H,1-6H2,(H,13,18)(H2,14,15,16,17,19)
InChIKeyOIDLODWVJPOECH-UHFFFAOYSA-N
XLogP1.06
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-[(2-oxopiperidin-4-yl)methyl]urea?
The IUPAC name of 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-[(2-oxopiperidin-4-yl)methyl]urea (CID 154847218) is 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-[(2-oxopiperidin-4-yl)methyl]urea.
What is the SMILES notation for 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-[(2-oxopiperidin-4-yl)methyl]urea?
The canonical SMILES for 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-[(2-oxopiperidin-4-yl)methyl]urea is O=C1CC(CNC(=O)Nc2nc(C3CC3)ns2)CCN1.
What is the InChIKey of 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-[(2-oxopiperidin-4-yl)methyl]urea?
The InChIKey is OIDLODWVJPOECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S/c18-9-5-7(3-4-13-9)6-14-11(19)16-12-15-10(17-20-12)8-1-2-8/h7-8H,1-6H2,(H,13,18)(H2,14,15,16,17,19).
What are the key properties of 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-[(2-oxopiperidin-4-yl)methyl]urea?
1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-[(2-oxopiperidin-4-yl)methyl]urea has a molecular weight of 295.37 g/mol, XLogP of 1.06, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-[(2-oxopiperidin-4-yl)methyl]urea is sourced from PubChem (CID 154847218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).