2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-methylamino]-1-morpholin-4-ylethanone

C13H22N4O2S — CID 86801612

IUPAC2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-methylamino]-1-morpholin-4-ylethanone
SMILESCN(CC(=O)N1CCOCC1)c1nc(C(C)(C)C)ns1
InChIInChI=1S/C13H22N4O2S/c1-13(2,3)11-14-12(20-15-11)16(4)9-10(18)17-5-7-19-8-6-17/h5-9H2,1-4H3
InChIKeyZEOPFBDNIBLQEZ-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.13
Rot. Bonds3

About 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-methylamino]-1-morpholin-4-ylethanone

2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-methylamino]-1-morpholin-4-ylethanone (PubChem CID 86801612) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-methylamino]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-methylamino]-1-morpholin-4-ylethanone
PubChem CID86801612
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-methylamino]-1-morpholin-4-ylethanone
SMILESCN(CC(=O)N1CCOCC1)c1nc(C(C)(C)C)ns1
InChIInChI=1S/C13H22N4O2S/c1-13(2,3)11-14-12(20-15-11)16(4)9-10(18)17-5-7-19-8-6-17/h5-9H2,1-4H3
InChIKeyZEOPFBDNIBLQEZ-UHFFFAOYSA-N
XLogP1.13
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-methylamino]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-methylamino]-1-morpholin-4-ylethanone (CID 86801612) is 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-methylamino]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-methylamino]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-methylamino]-1-morpholin-4-ylethanone is CN(CC(=O)N1CCOCC1)c1nc(C(C)(C)C)ns1.
What is the InChIKey of 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-methylamino]-1-morpholin-4-ylethanone?
The InChIKey is ZEOPFBDNIBLQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-13(2,3)11-14-12(20-15-11)16(4)9-10(18)17-5-7-19-8-6-17/h5-9H2,1-4H3.
What are the key properties of 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-methylamino]-1-morpholin-4-ylethanone?
2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-methylamino]-1-morpholin-4-ylethanone has a molecular weight of 298.41 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-methylamino]-1-morpholin-4-ylethanone is sourced from PubChem (CID 86801612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).