2-[methyl-(3-phenyl-1,2,4-thiadiazol-5-yl)amino]-1-morpholin-4-ylethanone

C15H18N4O2S — CID 86797605

IUPAC2-[methyl-(3-phenyl-1,2,4-thiadiazol-5-yl)amino]-1-morpholin-4-ylethanone
SMILESCN(CC(=O)N1CCOCC1)c1nc(-c2ccccc2)ns1
InChIInChI=1S/C15H18N4O2S/c1-18(11-13(20)19-7-9-21-10-8-19)15-16-14(17-22-15)12-5-3-2-4-6-12/h2-6H,7-11H2,1H3
InChIKeyZNAVZMDZMLLORH-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.50
Rot. Bonds4

About 2-[methyl-(3-phenyl-1,2,4-thiadiazol-5-yl)amino]-1-morpholin-4-ylethanone

2-[methyl-(3-phenyl-1,2,4-thiadiazol-5-yl)amino]-1-morpholin-4-ylethanone (PubChem CID 86797605) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 2-[methyl-(3-phenyl-1,2,4-thiadiazol-5-yl)amino]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[methyl-(3-phenyl-1,2,4-thiadiazol-5-yl)amino]-1-morpholin-4-ylethanone
PubChem CID86797605
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name2-[methyl-(3-phenyl-1,2,4-thiadiazol-5-yl)amino]-1-morpholin-4-ylethanone
SMILESCN(CC(=O)N1CCOCC1)c1nc(-c2ccccc2)ns1
InChIInChI=1S/C15H18N4O2S/c1-18(11-13(20)19-7-9-21-10-8-19)15-16-14(17-22-15)12-5-3-2-4-6-12/h2-6H,7-11H2,1H3
InChIKeyZNAVZMDZMLLORH-UHFFFAOYSA-N
XLogP1.50
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-methylamino]-1-morpholin-4-ylethanone
CID 86801612
N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-4-phenylbenzamide
CID 9225813
6-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]pyridine-2-carboxylic acid
CID 122053743
4-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfonyl]morpholine
CID 18346888
N-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)oxane-2-carboxamide
CID 138009565
2-(3,5-diphenyl-1,2,4-triazol-1-yl)-1-morpholin-4-ylethanone
CID 654746
N-methyl-2-(4-methylpiperazin-1-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide
CID 166310950
2-amino-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-2-phenylpropanamide
CID 120588933
2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-pyrrolidin-1-ylethanone
CID 47091854
1-morpholin-4-yl-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 100762654
2-methoxy-1-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone
CID 133317995
2-[[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-1-morpholin-4-ylethanone
CID 9047276

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(3-phenyl-1,2,4-thiadiazol-5-yl)amino]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[methyl-(3-phenyl-1,2,4-thiadiazol-5-yl)amino]-1-morpholin-4-ylethanone (CID 86797605) is 2-[methyl-(3-phenyl-1,2,4-thiadiazol-5-yl)amino]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[methyl-(3-phenyl-1,2,4-thiadiazol-5-yl)amino]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[methyl-(3-phenyl-1,2,4-thiadiazol-5-yl)amino]-1-morpholin-4-ylethanone is CN(CC(=O)N1CCOCC1)c1nc(-c2ccccc2)ns1.
What is the InChIKey of 2-[methyl-(3-phenyl-1,2,4-thiadiazol-5-yl)amino]-1-morpholin-4-ylethanone?
The InChIKey is ZNAVZMDZMLLORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-18(11-13(20)19-7-9-21-10-8-19)15-16-14(17-22-15)12-5-3-2-4-6-12/h2-6H,7-11H2,1H3.
What are the key properties of 2-[methyl-(3-phenyl-1,2,4-thiadiazol-5-yl)amino]-1-morpholin-4-ylethanone?
2-[methyl-(3-phenyl-1,2,4-thiadiazol-5-yl)amino]-1-morpholin-4-ylethanone has a molecular weight of 318.40 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(3-phenyl-1,2,4-thiadiazol-5-yl)amino]-1-morpholin-4-ylethanone is sourced from PubChem (CID 86797605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).