3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,6-dichlorophenyl)propanamide

C11H10Cl2N4OS2 — CID 43213345

IUPAC3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,6-dichlorophenyl)propanamide
SMILESNc1nnc(SCCC(=O)Nc2c(Cl)cccc2Cl)s1
InChIInChI=1S/C11H10Cl2N4OS2/c12-6-2-1-3-7(13)9(6)15-8(18)4-5-19-11-17-16-10(14)20-11/h1-3H,4-5H2,(H2,14,16)(H,15,18)
InChIKeyAQAUESYYCUOTBS-UHFFFAOYSA-N
MW349.27 g/mol
LogP3.55
Rot. Bonds5

About 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,6-dichlorophenyl)propanamide

3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,6-dichlorophenyl)propanamide (PubChem CID 43213345) has the molecular formula C11H10Cl2N4OS2 and a molecular weight of 349.27 g/mol. Its IUPAC name is 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,6-dichlorophenyl)propanamide.

Molecular Properties

Compound Name3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,6-dichlorophenyl)propanamide
PubChem CID43213345
Molecular FormulaC11H10Cl2N4OS2
Molecular Weight349.27 g/mol
Exact Mass347.97
IUPAC Name3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,6-dichlorophenyl)propanamide
SMILESNc1nnc(SCCC(=O)Nc2c(Cl)cccc2Cl)s1
InChIInChI=1S/C11H10Cl2N4OS2/c12-6-2-1-3-7(13)9(6)15-8(18)4-5-19-11-17-16-10(14)20-11/h1-3H,4-5H2,(H2,14,16)(H,15,18)
InChIKeyAQAUESYYCUOTBS-UHFFFAOYSA-N
XLogP3.55
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,6-dichlorophenyl)propanamide?
The IUPAC name of 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,6-dichlorophenyl)propanamide (CID 43213345) is 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,6-dichlorophenyl)propanamide.
What is the SMILES notation for 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,6-dichlorophenyl)propanamide?
The canonical SMILES for 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,6-dichlorophenyl)propanamide is Nc1nnc(SCCC(=O)Nc2c(Cl)cccc2Cl)s1.
What is the InChIKey of 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,6-dichlorophenyl)propanamide?
The InChIKey is AQAUESYYCUOTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N4OS2/c12-6-2-1-3-7(13)9(6)15-8(18)4-5-19-11-17-16-10(14)20-11/h1-3H,4-5H2,(H2,14,16)(H,15,18).
What are the key properties of 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,6-dichlorophenyl)propanamide?
3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,6-dichlorophenyl)propanamide has a molecular weight of 349.27 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,6-dichlorophenyl)propanamide is sourced from PubChem (CID 43213345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).