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

C8H13N3OS2 — CID 2141536

IUPAC2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylacetamide
SMILESCCCNC(=O)CSc1nnc(C)s1
InChIInChI=1S/C8H13N3OS2/c1-3-4-9-7(12)5-13-8-11-10-6(2)14-8/h3-5H2,1-2H3,(H,9,12)
InChIKeyHCGUBWAOJFUAGP-UHFFFAOYSA-N
MW231.35 g/mol
LogP1.46
Rot. Bonds5

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

2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylacetamide (PubChem CID 2141536) has the molecular formula C8H13N3OS2 and a molecular weight of 231.35 g/mol. Its IUPAC name is 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylacetamide.

Molecular Properties

Compound Name2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylacetamide
PubChem CID2141536
Molecular FormulaC8H13N3OS2
Molecular Weight231.35 g/mol
Exact Mass231.05
IUPAC Name2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylacetamide
SMILESCCCNC(=O)CSc1nnc(C)s1
InChIInChI=1S/C8H13N3OS2/c1-3-4-9-7(12)5-13-8-11-10-6(2)14-8/h3-5H2,1-2H3,(H,9,12)
InChIKeyHCGUBWAOJFUAGP-UHFFFAOYSA-N
XLogP1.46
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.35
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylacetamide 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-cyclopropyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 2994294
N-cyclohexyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 4817900
N-cyclopentyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 895382
N-cyclohexyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 754909
N,N-diethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 1152913
N-(2-methylpropyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 8300920
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpropanamide
CID 45853810
4,4,4-trifluoro-N-{3-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]propyl}butanamide
CID 46983612
N-(cyclopropylmethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 47144884
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 78765258
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide
CID 78765262
(2S)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide
CID 95902307

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylacetamide?
The IUPAC name of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylacetamide (CID 2141536) is 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylacetamide.
What is the SMILES notation for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylacetamide?
The canonical SMILES for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylacetamide is CCCNC(=O)CSc1nnc(C)s1.
What is the InChIKey of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylacetamide?
The InChIKey is HCGUBWAOJFUAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS2/c1-3-4-9-7(12)5-13-8-11-10-6(2)14-8/h3-5H2,1-2H3,(H,9,12).
What are the key properties of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylacetamide?
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylacetamide has a molecular weight of 231.35 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylacetamide is sourced from PubChem (CID 2141536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).