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

C12H18N4O2S — CID 155799952

IUPAC[4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCc1nsc(N2CCOC(C(=O)N3CCCC3)C2)n1
InChIInChI=1S/C12H18N4O2S/c1-9-13-12(19-14-9)16-6-7-18-10(8-16)11(17)15-4-2-3-5-15/h10H,2-8H2,1H3
InChIKeyQJNTVJXLSGSODU-UHFFFAOYSA-N
MW282.37 g/mol
LogP0.67
Rot. Bonds2

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

[4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 155799952) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is [4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID155799952
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC Name[4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCc1nsc(N2CCOC(C(=O)N3CCCC3)C2)n1
InChIInChI=1S/C12H18N4O2S/c1-9-13-12(19-14-9)16-6-7-18-10(8-16)11(17)15-4-2-3-5-15/h10H,2-8H2,1H3
InChIKeyQJNTVJXLSGSODU-UHFFFAOYSA-N
XLogP0.67
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 50.67
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]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone (CID 155799952) is [4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone is Cc1nsc(N2CCOC(C(=O)N3CCCC3)C2)n1.
What is the InChIKey of [4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is QJNTVJXLSGSODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-9-13-12(19-14-9)16-6-7-18-10(8-16)11(17)15-4-2-3-5-15/h10H,2-8H2,1H3.
What are the key properties of [4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone?
[4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 282.37 g/mol, XLogP of 0.67, 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]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 155799952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).