3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-one

C9H10N4O2S — CID 99836476

IUPAC3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-one
SMILESCc1nn(Cc2noc(C3CC3)n2)c(=O)s1
InChIInChI=1S/C9H10N4O2S/c1-5-11-13(9(14)16-5)4-7-10-8(15-12-7)6-2-3-6/h6H,2-4H2,1H3
InChIKeyBXWYMQJWZILDOL-UHFFFAOYSA-N
MW238.27 g/mol
LogP0.92
Rot. Bonds3

About 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-one

3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-one (PubChem CID 99836476) has the molecular formula C9H10N4O2S and a molecular weight of 238.27 g/mol. Its IUPAC name is 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-one.

Molecular Properties

Compound Name3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-one
PubChem CID99836476
Molecular FormulaC9H10N4O2S
Molecular Weight238.27 g/mol
Exact Mass238.05
IUPAC Name3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-one
SMILESCc1nn(Cc2noc(C3CC3)n2)c(=O)s1
InChIInChI=1S/C9H10N4O2S/c1-5-11-13(9(14)16-5)4-7-10-8(15-12-7)6-2-3-6/h6H,2-4H2,1H3
InChIKeyBXWYMQJWZILDOL-UHFFFAOYSA-N
XLogP0.92
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-one with MolForge

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Related Compounds

3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-5-cyclopropyl-1,2,4-oxadiazole
CID 62129263
N-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 61495486
5-bromo-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylpyridin-2-one
CID 81422093
(3aS,7aS)-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 95179461
3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-methyl-1,2,4-oxadiazole
CID 167874709
5-bromo-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-one
CID 66309150
(3S,4R)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 115278431
5-cyclopropyl-3-(methylsulfonylmethyl)-1,2,4-oxadiazole
CID 47395992
5-cyclopropyl-3-[[5-(2-methyl-1,3-thiazol-5-yl)-4-phenylimidazol-1-yl]methyl]-1,2,4-oxadiazole
CID 50977488
1-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]ethanamine
CID 112630226
1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-(2-methylpropyl)triazole-4-carboxylic acid
CID 102645617
5-cyclopropyl-3-(cyclopropylmethyl)-1,2,4-oxadiazole
CID 130718798

Frequently Asked Questions

What is the IUPAC name of 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-one?
The IUPAC name of 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-one (CID 99836476) is 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-one.
What is the SMILES notation for 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-one?
The canonical SMILES for 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-one is Cc1nn(Cc2noc(C3CC3)n2)c(=O)s1.
What is the InChIKey of 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-one?
The InChIKey is BXWYMQJWZILDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2S/c1-5-11-13(9(14)16-5)4-7-10-8(15-12-7)6-2-3-6/h6H,2-4H2,1H3.
What are the key properties of 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-one?
3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-one has a molecular weight of 238.27 g/mol, XLogP of 0.92, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-one is sourced from PubChem (CID 99836476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).