[4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]-piperidin-1-ylmethanone

C13H20N4O2S — CID 146077945

IUPAC[4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]-piperidin-1-ylmethanone
SMILESCc1nsc(N2CCOC(C(=O)N3CCCCC3)C2)n1
InChIInChI=1S/C13H20N4O2S/c1-10-14-13(20-15-10)17-7-8-19-11(9-17)12(18)16-5-3-2-4-6-16/h11H,2-9H2,1H3
InChIKeyRKYWYCAYEIBOID-UHFFFAOYSA-N
MW296.40 g/mol
LogP1.06
Rot. Bonds2

About [4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]-piperidin-1-ylmethanone

[4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]-piperidin-1-ylmethanone (PubChem CID 146077945) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is [4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]-piperidin-1-ylmethanone
PubChem CID146077945
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC Name[4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]-piperidin-1-ylmethanone
SMILESCc1nsc(N2CCOC(C(=O)N3CCCCC3)C2)n1
InChIInChI=1S/C13H20N4O2S/c1-10-14-13(20-15-10)17-7-8-19-11(9-17)12(18)16-5-3-2-4-6-16/h11H,2-9H2,1H3
InChIKeyRKYWYCAYEIBOID-UHFFFAOYSA-N
XLogP1.06
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]-piperidin-1-ylmethanone (CID 146077945) is [4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]-piperidin-1-ylmethanone is Cc1nsc(N2CCOC(C(=O)N3CCCCC3)C2)n1.
What is the InChIKey of [4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]-piperidin-1-ylmethanone?
The InChIKey is RKYWYCAYEIBOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S/c1-10-14-13(20-15-10)17-7-8-19-11(9-17)12(18)16-5-3-2-4-6-16/h11H,2-9H2,1H3.
What are the key properties of [4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]-piperidin-1-ylmethanone?
[4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]-piperidin-1-ylmethanone has a molecular weight of 296.40 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 146077945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).