[5-(methylamino)-1,3,4-thiadiazol-2-yl]-(2-methylmorpholin-4-yl)methanone

C9H14N4O2S — CID 80616219

IUPAC[5-(methylamino)-1,3,4-thiadiazol-2-yl]-(2-methylmorpholin-4-yl)methanone
SMILESCNc1nnc(C(=O)N2CCOC(C)C2)s1
InChIInChI=1S/C9H14N4O2S/c1-6-5-13(3-4-15-6)8(14)7-11-12-9(10-2)16-7/h6H,3-5H2,1-2H3,(H,10,12)
InChIKeySVOHKNRLOKHCAC-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.44
Rot. Bonds2

About [5-(methylamino)-1,3,4-thiadiazol-2-yl]-(2-methylmorpholin-4-yl)methanone

[5-(methylamino)-1,3,4-thiadiazol-2-yl]-(2-methylmorpholin-4-yl)methanone (PubChem CID 80616219) has the molecular formula C9H14N4O2S and a molecular weight of 242.30 g/mol. Its IUPAC name is [5-(methylamino)-1,3,4-thiadiazol-2-yl]-(2-methylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[5-(methylamino)-1,3,4-thiadiazol-2-yl]-(2-methylmorpholin-4-yl)methanone
PubChem CID80616219
Molecular FormulaC9H14N4O2S
Molecular Weight242.30 g/mol
Exact Mass242.08
IUPAC Name[5-(methylamino)-1,3,4-thiadiazol-2-yl]-(2-methylmorpholin-4-yl)methanone
SMILESCNc1nnc(C(=O)N2CCOC(C)C2)s1
InChIInChI=1S/C9H14N4O2S/c1-6-5-13(3-4-15-6)8(14)7-11-12-9(10-2)16-7/h6H,3-5H2,1-2H3,(H,10,12)
InChIKeySVOHKNRLOKHCAC-UHFFFAOYSA-N
XLogP0.44
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(methylamino)-1,3,4-thiadiazol-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 80615425
(4-ethyl-3-methylpiperazin-1-yl)-[5-(methylamino)-1,3,4-thiadiazol-2-yl]methanone
CID 80617321
[5-(methylamino)-1,3,4-thiadiazol-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 80614899
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-[5-(methylamino)-1,3,4-thiadiazol-2-yl]methanone
CID 80623450
[5-(methylamino)-1,3,4-thiadiazol-2-yl]-(4-methylsulfanylpiperidin-1-yl)methanone
CID 114238331
3-azabicyclo[3.3.1]nonan-3-yl-[5-(methylamino)-1,3,4-thiadiazol-2-yl]methanone
CID 114196780
[4-(methylamino)phenyl]-(2-methylmorpholin-4-yl)methanone
CID 62173081
[5-(methylamino)-1,3,4-thiadiazol-2-yl]-(3-methylthiomorpholin-4-yl)methanone
CID 80617166
(2-ethylpiperidin-1-yl)-[5-(methylamino)-1,3,4-thiadiazol-2-yl]methanone
CID 80615804
1-(2-methylmorpholin-4-yl)-2-[[5-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 24577406
N-cyclopropyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615428
(2S)-2-methylmorpholine-4-carbonyl chloride
CID 151798222

Frequently Asked Questions

What is the IUPAC name of [5-(methylamino)-1,3,4-thiadiazol-2-yl]-(2-methylmorpholin-4-yl)methanone?
The IUPAC name of [5-(methylamino)-1,3,4-thiadiazol-2-yl]-(2-methylmorpholin-4-yl)methanone (CID 80616219) is [5-(methylamino)-1,3,4-thiadiazol-2-yl]-(2-methylmorpholin-4-yl)methanone.
What is the SMILES notation for [5-(methylamino)-1,3,4-thiadiazol-2-yl]-(2-methylmorpholin-4-yl)methanone?
The canonical SMILES for [5-(methylamino)-1,3,4-thiadiazol-2-yl]-(2-methylmorpholin-4-yl)methanone is CNc1nnc(C(=O)N2CCOC(C)C2)s1.
What is the InChIKey of [5-(methylamino)-1,3,4-thiadiazol-2-yl]-(2-methylmorpholin-4-yl)methanone?
The InChIKey is SVOHKNRLOKHCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2S/c1-6-5-13(3-4-15-6)8(14)7-11-12-9(10-2)16-7/h6H,3-5H2,1-2H3,(H,10,12).
What are the key properties of [5-(methylamino)-1,3,4-thiadiazol-2-yl]-(2-methylmorpholin-4-yl)methanone?
[5-(methylamino)-1,3,4-thiadiazol-2-yl]-(2-methylmorpholin-4-yl)methanone has a molecular weight of 242.30 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(methylamino)-1,3,4-thiadiazol-2-yl]-(2-methylmorpholin-4-yl)methanone is sourced from PubChem (CID 80616219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).