2,6-dimethyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)morpholine-4-carboxamide

C15H18N4O2S — CID 48739001

IUPAC2,6-dimethyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)morpholine-4-carboxamide
SMILESCC1CN(C(=O)Nc2nc(-c3ccccc3)ns2)CC(C)O1
InChIInChI=1S/C15H18N4O2S/c1-10-8-19(9-11(2)21-10)15(20)17-14-16-13(18-22-14)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,16,17,18,20)
InChIKeySRTYJVJAZKNZOO-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.85
Rot. Bonds2

About 2,6-dimethyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)morpholine-4-carboxamide

2,6-dimethyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)morpholine-4-carboxamide (PubChem CID 48739001) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 2,6-dimethyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)morpholine-4-carboxamide.

Molecular Properties

Compound Name2,6-dimethyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)morpholine-4-carboxamide
PubChem CID48739001
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name2,6-dimethyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)morpholine-4-carboxamide
SMILESCC1CN(C(=O)Nc2nc(-c3ccccc3)ns2)CC(C)O1
InChIInChI=1S/C15H18N4O2S/c1-10-8-19(9-11(2)21-10)15(20)17-14-16-13(18-22-14)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,16,17,18,20)
InChIKeySRTYJVJAZKNZOO-UHFFFAOYSA-N
XLogP2.85
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)morpholine-4-carboxamide?
The IUPAC name of 2,6-dimethyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)morpholine-4-carboxamide (CID 48739001) is 2,6-dimethyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)morpholine-4-carboxamide.
What is the SMILES notation for 2,6-dimethyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)morpholine-4-carboxamide?
The canonical SMILES for 2,6-dimethyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)morpholine-4-carboxamide is CC1CN(C(=O)Nc2nc(-c3ccccc3)ns2)CC(C)O1.
What is the InChIKey of 2,6-dimethyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)morpholine-4-carboxamide?
The InChIKey is SRTYJVJAZKNZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-10-8-19(9-11(2)21-10)15(20)17-14-16-13(18-22-14)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,16,17,18,20).
What are the key properties of 2,6-dimethyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)morpholine-4-carboxamide?
2,6-dimethyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)morpholine-4-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)morpholine-4-carboxamide is sourced from PubChem (CID 48739001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).