[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone

C15H20F2N4O2S — CID 163345893

IUPAC[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone
SMILESO=C(C1CN(c2nc(C3CC3)ns2)CCO1)N1CCC(F)(F)CC1
InChIInChI=1S/C15H20F2N4O2S/c16-15(17)3-5-20(6-4-15)13(22)11-9-21(7-8-23-11)14-18-12(19-24-14)10-1-2-10/h10-11H,1-9H2
InChIKeyQYMCTCBUMCELCY-UHFFFAOYSA-N
MW358.41 g/mol
LogP1.88
Rot. Bonds3

About [4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone

[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone (PubChem CID 163345893) has the molecular formula C15H20F2N4O2S and a molecular weight of 358.41 g/mol. Its IUPAC name is [4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone
PubChem CID163345893
Molecular FormulaC15H20F2N4O2S
Molecular Weight358.41 g/mol
Exact Mass358.13
IUPAC Name[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone
SMILESO=C(C1CN(c2nc(C3CC3)ns2)CCO1)N1CCC(F)(F)CC1
InChIInChI=1S/C15H20F2N4O2S/c16-15(17)3-5-20(6-4-15)13(22)11-9-21(7-8-23-11)14-18-12(19-24-14)10-1-2-10/h10-11H,1-9H2
InChIKeyQYMCTCBUMCELCY-UHFFFAOYSA-N
XLogP1.88
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The IUPAC name of [4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone (CID 163345893) is [4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone.
What is the SMILES notation for [4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The canonical SMILES for [4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone is O=C(C1CN(c2nc(C3CC3)ns2)CCO1)N1CCC(F)(F)CC1.
What is the InChIKey of [4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The InChIKey is QYMCTCBUMCELCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N4O2S/c16-15(17)3-5-20(6-4-15)13(22)11-9-21(7-8-23-11)14-18-12(19-24-14)10-1-2-10/h10-11H,1-9H2.
What are the key properties of [4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone?
[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone has a molecular weight of 358.41 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone is sourced from PubChem (CID 163345893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).