3-[2-[[1-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidin-4-yl]amino]ethyl]-1,3-oxazolidin-2-one

C19H25N5O2S — CID 31125408

IUPAC3-[2-[[1-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidin-4-yl]amino]ethyl]-1,3-oxazolidin-2-one
SMILESCc1nnc(-c2cccc(N3CCC(NCCN4CCOC4=O)CC3)c2)s1
InChIInChI=1S/C19H25N5O2S/c1-14-21-22-18(27-14)15-3-2-4-17(13-15)23-8-5-16(6-9-23)20-7-10-24-11-12-26-19(24)25/h2-4,13,16,20H,5-12H2,1H3
InChIKeyXHJZSTCFLCGXED-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.52
Rot. Bonds6

About 3-[2-[[1-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidin-4-yl]amino]ethyl]-1,3-oxazolidin-2-one

3-[2-[[1-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidin-4-yl]amino]ethyl]-1,3-oxazolidin-2-one (PubChem CID 31125408) has the molecular formula C19H25N5O2S and a molecular weight of 387.51 g/mol. Its IUPAC name is 3-[2-[[1-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidin-4-yl]amino]ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[[1-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidin-4-yl]amino]ethyl]-1,3-oxazolidin-2-one
PubChem CID31125408
Molecular FormulaC19H25N5O2S
Molecular Weight387.51 g/mol
Exact Mass387.17
IUPAC Name3-[2-[[1-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidin-4-yl]amino]ethyl]-1,3-oxazolidin-2-one
SMILESCc1nnc(-c2cccc(N3CCC(NCCN4CCOC4=O)CC3)c2)s1
InChIInChI=1S/C19H25N5O2S/c1-14-21-22-18(27-14)15-3-2-4-17(13-15)23-8-5-16(6-9-23)20-7-10-24-11-12-26-19(24)25/h2-4,13,16,20H,5-12H2,1H3
InChIKeyXHJZSTCFLCGXED-UHFFFAOYSA-N
XLogP2.52
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[[1-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidin-4-yl]amino]ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[[1-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidin-4-yl]amino]ethyl]-1,3-oxazolidin-2-one (CID 31125408) is 3-[2-[[1-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidin-4-yl]amino]ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[[1-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidin-4-yl]amino]ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[[1-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidin-4-yl]amino]ethyl]-1,3-oxazolidin-2-one is Cc1nnc(-c2cccc(N3CCC(NCCN4CCOC4=O)CC3)c2)s1.
What is the InChIKey of 3-[2-[[1-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidin-4-yl]amino]ethyl]-1,3-oxazolidin-2-one?
The InChIKey is XHJZSTCFLCGXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2S/c1-14-21-22-18(27-14)15-3-2-4-17(13-15)23-8-5-16(6-9-23)20-7-10-24-11-12-26-19(24)25/h2-4,13,16,20H,5-12H2,1H3.
What are the key properties of 3-[2-[[1-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidin-4-yl]amino]ethyl]-1,3-oxazolidin-2-one?
3-[2-[[1-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidin-4-yl]amino]ethyl]-1,3-oxazolidin-2-one has a molecular weight of 387.51 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[1-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidin-4-yl]amino]ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 31125408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).