2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylbutan-2-yl)acetamide

C13H22N4O2S2 — CID 46983226

IUPAC2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylbutan-2-yl)acetamide
SMILESCc1nnc(SCC(=O)NC(C)CCN2CCOCC2)s1
InChIInChI=1S/C13H22N4O2S2/c1-10(3-4-17-5-7-19-8-6-17)14-12(18)9-20-13-16-15-11(2)21-13/h10H,3-9H2,1-2H3,(H,14,18)
InChIKeyPOQDKRRQZNJNDO-UHFFFAOYSA-N
MW330.48 g/mol
LogP1.17
Rot. Bonds7

About 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylbutan-2-yl)acetamide

2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylbutan-2-yl)acetamide (PubChem CID 46983226) has the molecular formula C13H22N4O2S2 and a molecular weight of 330.48 g/mol. Its IUPAC name is 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylbutan-2-yl)acetamide
PubChem CID46983226
Molecular FormulaC13H22N4O2S2
Molecular Weight330.48 g/mol
Exact Mass330.12
IUPAC Name2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylbutan-2-yl)acetamide
SMILESCc1nnc(SCC(=O)NC(C)CCN2CCOCC2)s1
InChIInChI=1S/C13H22N4O2S2/c1-10(3-4-17-5-7-19-8-6-17)14-12(18)9-20-13-16-15-11(2)21-13/h10H,3-9H2,1-2H3,(H,14,18)
InChIKeyPOQDKRRQZNJNDO-UHFFFAOYSA-N
XLogP1.17
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylbutan-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-{3-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]propyl}-2-morpholinecarboxamide
CID 56889650
N-{3-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]propyl}-2-(3-morpholinyl)acetamide
CID 56889764
2-[[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide
CID 9376389
2-[[5-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide
CID 9376418
2-[[5-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide
CID 9376422
2-[[5-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide
CID 9376429
2-[[5-(4-morpholin-4-yl-4-oxobutyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide
CID 9376525
2-[[5-(2-morpholin-4-ium-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide
CID 9376533
2-[[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide
CID 9376534
N-(1-methoxypropan-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 18076362
N-(2-methyl-2-morpholin-4-ylpropyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 24477766
2-[[5-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide
CID 24574240

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylbutan-2-yl)acetamide?
The IUPAC name of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylbutan-2-yl)acetamide (CID 46983226) is 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylbutan-2-yl)acetamide?
The canonical SMILES for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylbutan-2-yl)acetamide is Cc1nnc(SCC(=O)NC(C)CCN2CCOCC2)s1.
What is the InChIKey of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylbutan-2-yl)acetamide?
The InChIKey is POQDKRRQZNJNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S2/c1-10(3-4-17-5-7-19-8-6-17)14-12(18)9-20-13-16-15-11(2)21-13/h10H,3-9H2,1-2H3,(H,14,18).
What are the key properties of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylbutan-2-yl)acetamide?
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylbutan-2-yl)acetamide has a molecular weight of 330.48 g/mol, XLogP of 1.17, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylbutan-2-yl)acetamide is sourced from PubChem (CID 46983226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).