3-methyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide

C11H17N3O2S — CID 16876533

IUPAC3-methyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide
SMILESCC(C)CC(=O)Nc1nnc(C2CCCO2)s1
InChIInChI=1S/C11H17N3O2S/c1-7(2)6-9(15)12-11-14-13-10(17-11)8-4-3-5-16-8/h7-8H,3-6H2,1-2H3,(H,12,14,15)
InChIKeyHGBZPMNXDBKOPE-UHFFFAOYSA-N
MW255.34 g/mol
LogP2.37
Rot. Bonds4

About 3-methyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide

3-methyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide (PubChem CID 16876533) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 3-methyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide
PubChem CID16876533
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name3-methyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide
SMILESCC(C)CC(=O)Nc1nnc(C2CCCO2)s1
InChIInChI=1S/C11H17N3O2S/c1-7(2)6-9(15)12-11-14-13-10(17-11)8-4-3-5-16-8/h7-8H,3-6H2,1-2H3,(H,12,14,15)
InChIKeyHGBZPMNXDBKOPE-UHFFFAOYSA-N
XLogP2.37
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]butanamide
CID 42335736
N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]pentanamide
CID 19183928
N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide
CID 45154366
(2S)-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide
CID 35570023
2-chloro-5-(2-methylpropyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-4-carboxamide
CID 75489838
2-(4-aminophenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 110451756
(E)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]but-2-enamide
CID 110459746
2-(4-ethoxyphenoxy)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 19178932
1-[2-oxo-2-[[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]amino]ethyl]piperidine-4-carboxamide
CID 50959780
1-[2-oxo-2-[[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]amino]ethyl]piperidine-4-carboxamide
CID 95125307
3-(4-tert-butylphenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide
CID 19221296
4-methyl-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide
CID 39040742

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide?
The IUPAC name of 3-methyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide (CID 16876533) is 3-methyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide.
What is the SMILES notation for 3-methyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide?
The canonical SMILES for 3-methyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide is CC(C)CC(=O)Nc1nnc(C2CCCO2)s1.
What is the InChIKey of 3-methyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide?
The InChIKey is HGBZPMNXDBKOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-7(2)6-9(15)12-11-14-13-10(17-11)8-4-3-5-16-8/h7-8H,3-6H2,1-2H3,(H,12,14,15).
What are the key properties of 3-methyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide?
3-methyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide has a molecular weight of 255.34 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide is sourced from PubChem (CID 16876533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).