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

C9H11N5OS4 — CID 2033429

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide
SMILESCCc1nnc(NC(=O)CSc2nc(SC)ns2)s1
InChIInChI=1S/C9H11N5OS4/c1-3-6-12-13-7(18-6)10-5(15)4-17-9-11-8(16-2)14-19-9/h3-4H2,1-2H3,(H,10,13,15)
InChIKeyOUMIOUOOHBORBR-UHFFFAOYSA-N
MW333.49 g/mol
LogP2.40
Rot. Bonds6

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

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide (PubChem CID 2033429) has the molecular formula C9H11N5OS4 and a molecular weight of 333.49 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide
PubChem CID2033429
Molecular FormulaC9H11N5OS4
Molecular Weight333.49 g/mol
Exact Mass332.98
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide
SMILESCCc1nnc(NC(=O)CSc2nc(SC)ns2)s1
InChIInChI=1S/C9H11N5OS4/c1-3-6-12-13-7(18-6)10-5(15)4-17-9-11-8(16-2)14-19-9/h3-4H2,1-2H3,(H,10,13,15)
InChIKeyOUMIOUOOHBORBR-UHFFFAOYSA-N
XLogP2.40
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.49
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

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CID 6492034
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 3152696
N-(5-Ethyl-[1,3,4]thiadiazol-2-yl)-2-(1-propyl-1H-tetrazol-5-ylsulfanyl)-acetamide
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CID 582165
2-[(4-Methyl-4H-1,2,4-triazol-3-YL)sulfanyl]-N~1~-(5-propyl-1,3,4-thiadiazol-2-YL)acetamide
CID 712472
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CID 969741
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CID 975045
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 1979833
N-(5-{[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)acetamide
CID 3353473
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 694734
N-(5-Methyl-1,3,4-thiadiazol-2-YL)-2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-YL]sulfanyl}acetamide
CID 2055991
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 2231526

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide (CID 2033429) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide is CCc1nnc(NC(=O)CSc2nc(SC)ns2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide?
The InChIKey is OUMIOUOOHBORBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5OS4/c1-3-6-12-13-7(18-6)10-5(15)4-17-9-11-8(16-2)14-19-9/h3-4H2,1-2H3,(H,10,13,15).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide has a molecular weight of 333.49 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide is sourced from PubChem (CID 2033429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).