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

C9H14N4OS2 — CID 80617166

IUPAC[5-(methylamino)-1,3,4-thiadiazol-2-yl]-(3-methylthiomorpholin-4-yl)methanone
SMILESCNc1nnc(C(=O)N2CCSCC2C)s1
InChIInChI=1S/C9H14N4OS2/c1-6-5-15-4-3-13(6)8(14)7-11-12-9(10-2)16-7/h6H,3-5H2,1-2H3,(H,10,12)
InChIKeyBKLNMDBKGOMMDG-UHFFFAOYSA-N
MW258.37 g/mol
LogP1.16
Rot. Bonds2

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

[5-(methylamino)-1,3,4-thiadiazol-2-yl]-(3-methylthiomorpholin-4-yl)methanone (PubChem CID 80617166) has the molecular formula C9H14N4OS2 and a molecular weight of 258.37 g/mol. Its IUPAC name is [5-(methylamino)-1,3,4-thiadiazol-2-yl]-(3-methylthiomorpholin-4-yl)methanone.

Molecular Properties

Compound Name[5-(methylamino)-1,3,4-thiadiazol-2-yl]-(3-methylthiomorpholin-4-yl)methanone
PubChem CID80617166
Molecular FormulaC9H14N4OS2
Molecular Weight258.37 g/mol
Exact Mass258.06
IUPAC Name[5-(methylamino)-1,3,4-thiadiazol-2-yl]-(3-methylthiomorpholin-4-yl)methanone
SMILESCNc1nnc(C(=O)N2CCSCC2C)s1
InChIInChI=1S/C9H14N4OS2/c1-6-5-15-4-3-13(6)8(14)7-11-12-9(10-2)16-7/h6H,3-5H2,1-2H3,(H,10,12)
InChIKeyBKLNMDBKGOMMDG-UHFFFAOYSA-N
XLogP1.16
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 51.16
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
(2-ethylpiperidin-1-yl)-[5-(methylamino)-1,3,4-thiadiazol-2-yl]methanone
CID 80615804
[5-(methylamino)-1,3,4-thiadiazol-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 80614899
[5-(methylamino)-1,3,4-thiadiazol-2-yl]-(2-methylmorpholin-4-yl)methanone
CID 80616219
(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-methylsulfanylpiperidin-1-yl)methanone
CID 114238331
[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-(3-methylthiomorpholin-4-yl)methanone
CID 116666635
3-azabicyclo[3.3.1]nonan-3-yl-[5-(methylamino)-1,3,4-thiadiazol-2-yl]methanone
CID 114196780
(3-amino-5-bromo-2-methylphenyl)-(3-methylthiomorpholin-4-yl)methanone
CID 114011365
N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 12639716
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
(2-bromo-5-methylphenyl)-(3-methylthiomorpholin-4-yl)methanone
CID 81002713

Frequently Asked Questions

What is the IUPAC name of [5-(methylamino)-1,3,4-thiadiazol-2-yl]-(3-methylthiomorpholin-4-yl)methanone?
The IUPAC name of [5-(methylamino)-1,3,4-thiadiazol-2-yl]-(3-methylthiomorpholin-4-yl)methanone (CID 80617166) is [5-(methylamino)-1,3,4-thiadiazol-2-yl]-(3-methylthiomorpholin-4-yl)methanone.
What is the SMILES notation for [5-(methylamino)-1,3,4-thiadiazol-2-yl]-(3-methylthiomorpholin-4-yl)methanone?
The canonical SMILES for [5-(methylamino)-1,3,4-thiadiazol-2-yl]-(3-methylthiomorpholin-4-yl)methanone is CNc1nnc(C(=O)N2CCSCC2C)s1.
What is the InChIKey of [5-(methylamino)-1,3,4-thiadiazol-2-yl]-(3-methylthiomorpholin-4-yl)methanone?
The InChIKey is BKLNMDBKGOMMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS2/c1-6-5-15-4-3-13(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]-(3-methylthiomorpholin-4-yl)methanone?
[5-(methylamino)-1,3,4-thiadiazol-2-yl]-(3-methylthiomorpholin-4-yl)methanone has a molecular weight of 258.37 g/mol, XLogP of 1.16, 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]-(3-methylthiomorpholin-4-yl)methanone is sourced from PubChem (CID 80617166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).