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

C15H16Cl2N4OS2 — CID 46815152

IUPAC2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[1-(2,4-dichlorophenyl)ethyl]acetamide
SMILESCC(NC(=O)CSc1nnc(NC2CC2)s1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H16Cl2N4OS2/c1-8(11-5-2-9(16)6-12(11)17)18-13(22)7-23-15-21-20-14(24-15)19-10-3-4-10/h2,5-6,8,10H,3-4,7H2,1H3,(H,18,22)(H,19,20)
InChIKeyQXQOAQWDRGDEMW-UHFFFAOYSA-N
MW403.36 g/mol
LogP4.39
Rot. Bonds7

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

2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[1-(2,4-dichlorophenyl)ethyl]acetamide (PubChem CID 46815152) has the molecular formula C15H16Cl2N4OS2 and a molecular weight of 403.36 g/mol. Its IUPAC name is 2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[1-(2,4-dichlorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[1-(2,4-dichlorophenyl)ethyl]acetamide
PubChem CID46815152
Molecular FormulaC15H16Cl2N4OS2
Molecular Weight403.36 g/mol
Exact Mass402.01
IUPAC Name2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[1-(2,4-dichlorophenyl)ethyl]acetamide
SMILESCC(NC(=O)CSc1nnc(NC2CC2)s1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H16Cl2N4OS2/c1-8(11-5-2-9(16)6-12(11)17)18-13(22)7-23-15-21-20-14(24-15)19-10-3-4-10/h2,5-6,8,10H,3-4,7H2,1H3,(H,18,22)(H,19,20)
InChIKeyQXQOAQWDRGDEMW-UHFFFAOYSA-N
XLogP4.39
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.36
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[1-(2,4-dichlorophenyl)ethyl]acetamide with MolForge

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Related Compounds

2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(1S)-1-phenylethyl]acetamide
CID 8674447
2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(1S)-1-naphthalen-1-ylethyl]acetamide
CID 8633084
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 8674760
N-(5-chloro-2-methoxyphenyl)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 8674472
2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-pentan-2-ylacetamide
CID 18194117
N-(5-chloro-2-cyanophenyl)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 78801335
2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide
CID 8674646
2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 8633075
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 41353763
N-(4-acetamidophenyl)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 8674479
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 7754334
N-[1-(3,4-dichlorophenyl)ethyl]-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 85477418

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[1-(2,4-dichlorophenyl)ethyl]acetamide?
The IUPAC name of 2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[1-(2,4-dichlorophenyl)ethyl]acetamide (CID 46815152) is 2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[1-(2,4-dichlorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[1-(2,4-dichlorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[1-(2,4-dichlorophenyl)ethyl]acetamide is CC(NC(=O)CSc1nnc(NC2CC2)s1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[1-(2,4-dichlorophenyl)ethyl]acetamide?
The InChIKey is QXQOAQWDRGDEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N4OS2/c1-8(11-5-2-9(16)6-12(11)17)18-13(22)7-23-15-21-20-14(24-15)19-10-3-4-10/h2,5-6,8,10H,3-4,7H2,1H3,(H,18,22)(H,19,20).
What are the key properties of 2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[1-(2,4-dichlorophenyl)ethyl]acetamide?
2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[1-(2,4-dichlorophenyl)ethyl]acetamide has a molecular weight of 403.36 g/mol, XLogP of 4.39, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[1-(2,4-dichlorophenyl)ethyl]acetamide is sourced from PubChem (CID 46815152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).