2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-prop-2-enylacetamide

C8H11N3OS3 — CID 51140519

IUPAC2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CSc1nnc(SC)s1
InChIInChI=1S/C8H11N3OS3/c1-3-4-9-6(12)5-14-8-11-10-7(13-2)15-8/h3H,1,4-5H2,2H3,(H,9,12)
InChIKeyRPDBHPFHBZBISV-UHFFFAOYSA-N
MW261.40 g/mol
LogP1.65
Rot. Bonds6

About 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-prop-2-enylacetamide

2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-prop-2-enylacetamide (PubChem CID 51140519) has the molecular formula C8H11N3OS3 and a molecular weight of 261.40 g/mol. Its IUPAC name is 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-prop-2-enylacetamide
PubChem CID51140519
Molecular FormulaC8H11N3OS3
Molecular Weight261.40 g/mol
Exact Mass261.01
IUPAC Name2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CSc1nnc(SC)s1
InChIInChI=1S/C8H11N3OS3/c1-3-4-9-6(12)5-14-8-11-10-7(13-2)15-8/h3H,1,4-5H2,2H3,(H,9,12)
InChIKeyRPDBHPFHBZBISV-UHFFFAOYSA-N
XLogP1.65
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.40
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[[5-[(4-methylphenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-prop-2-enylacetamide
CID 7385215
N-(4-methylphenyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 2668647
2-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-prop-2-enylacetamide
CID 51210249
2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 55525095
2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 2670694
N-[2-(4-tert-butylphenoxy)ethyl]-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 9341593
5-methylsulfanyl-N-prop-2-enyl-1,3,4-thiadiazol-2-amine
CID 83380562
N-(2,5-dimethylpyrazol-3-yl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 46672676
N-(2-chlorophenyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 7820649
N-(ethylideneamino)-2-[[5-[2-(2-ethylidenehydrazinyl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 4170580
ethyl 4-[[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]benzoate
CID 2665598
N-(cyclohexylcarbamoyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 2668225

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-prop-2-enylacetamide?
The IUPAC name of 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-prop-2-enylacetamide (CID 51140519) is 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-prop-2-enylacetamide is C=CCNC(=O)CSc1nnc(SC)s1.
What is the InChIKey of 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-prop-2-enylacetamide?
The InChIKey is RPDBHPFHBZBISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3OS3/c1-3-4-9-6(12)5-14-8-11-10-7(13-2)15-8/h3H,1,4-5H2,2H3,(H,9,12).
What are the key properties of 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-prop-2-enylacetamide?
2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-prop-2-enylacetamide has a molecular weight of 261.40 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-prop-2-enylacetamide is sourced from PubChem (CID 51140519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).