4-methyl-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one

C13H18N4O3S — CID 3765823

IUPAC4-methyl-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCc1nnsc1C(=O)N1CCC(N2C(=O)OCC2C)CC1
InChIInChI=1S/C13H18N4O3S/c1-8-7-20-13(19)17(8)10-3-5-16(6-4-10)12(18)11-9(2)14-15-21-11/h8,10H,3-7H2,1-2H3
InChIKeyZGYDBIWLMCDANB-UHFFFAOYSA-N
MW310.38 g/mol
LogP1.29
Rot. Bonds2

About 4-methyl-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one

4-methyl-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 3765823) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is 4-methyl-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-methyl-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID3765823
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC Name4-methyl-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCc1nnsc1C(=O)N1CCC(N2C(=O)OCC2C)CC1
InChIInChI=1S/C13H18N4O3S/c1-8-7-20-13(19)17(8)10-3-5-16(6-4-10)12(18)11-9(2)14-15-21-11/h8,10H,3-7H2,1-2H3
InChIKeyZGYDBIWLMCDANB-UHFFFAOYSA-N
XLogP1.29
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 4-[(4-methylthiadiazole-5-carbonyl)amino]piperidine-1-carboxylate
CID 2815506
3-[(3S)-1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 100727021
N-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-4-methyl-1,2,3-thiadiazole-5-carboxamide
CID 45558609
N-[1-(2-Methoxyethyl)piperidin-4-YL]-4-methyl-1,2,3-thiadiazole-5-carboxamide
CID 71784705
(3-(Hydroxymethyl)morpholino)(4-methyl-1,2,3-thiadiazol-5-yl)methanone
CID 71785826
[3-[(Dimethylamino)methyl]morpholin-4-yl]-(4-methylthiadiazol-5-yl)methanone
CID 71786010
[3-[[2-Hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(4-methylthiadiazol-5-yl)methanone
CID 71786012
4-methyl-N-(4-morpholinobut-2-yn-1-yl)-1,2,3-thiadiazole-5-carboxamide
CID 71792701
4-Methoxy-1'-(4-methyl-1,2,3-thiadiazole-5-carbonyl)-1,4'-bipiperidine
CID 90616260
(4-(3-Hydroxypyrrolidin-1-yl)piperidin-1-yl)(4-methyl-1,2,3-thiadiazol-5-yl)methanone
CID 91813614
3-(1-(4-Propyl-1,2,3-thiadiazole-5-carbonyl)piperidin-4-yl)oxazolidine-2,4-dione
CID 92081536
3-(2-Methoxyethyl)-1-[1-(4-methyl-1,2,3-thiadiazole-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 92130668

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-methyl-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one (CID 3765823) is 4-methyl-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-methyl-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-methyl-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one is Cc1nnsc1C(=O)N1CCC(N2C(=O)OCC2C)CC1.
What is the InChIKey of 4-methyl-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is ZGYDBIWLMCDANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S/c1-8-7-20-13(19)17(8)10-3-5-16(6-4-10)12(18)11-9(2)14-15-21-11/h8,10H,3-7H2,1-2H3.
What are the key properties of 4-methyl-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
4-methyl-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 310.38 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 3765823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).