5-(2,4-dichlorophenyl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]furan-2-carboxamide

C16H11Cl2N3O3S — CID 2088903

IUPAC5-(2,4-dichlorophenyl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]furan-2-carboxamide
SMILESCC(=O)Cc1nsc(NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)n1
InChIInChI=1S/C16H11Cl2N3O3S/c1-8(22)6-14-19-16(25-21-14)20-15(23)13-5-4-12(24-13)10-3-2-9(17)7-11(10)18/h2-5,7H,6H2,1H3,(H,19,20,21,23)
InChIKeyVKZIJNNZQZPPNR-UHFFFAOYSA-N
MW396.26 g/mol
LogP4.49
Rot. Bonds5

About 5-(2,4-dichlorophenyl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]furan-2-carboxamide

5-(2,4-dichlorophenyl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]furan-2-carboxamide (PubChem CID 2088903) has the molecular formula C16H11Cl2N3O3S and a molecular weight of 396.26 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]furan-2-carboxamide
PubChem CID2088903
Molecular FormulaC16H11Cl2N3O3S
Molecular Weight396.26 g/mol
Exact Mass394.99
IUPAC Name5-(2,4-dichlorophenyl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]furan-2-carboxamide
SMILESCC(=O)Cc1nsc(NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)n1
InChIInChI=1S/C16H11Cl2N3O3S/c1-8(22)6-14-19-16(25-21-14)20-15(23)13-5-4-12(24-13)10-3-2-9(17)7-11(10)18/h2-5,7H,6H2,1H3,(H,19,20,21,23)
InChIKeyVKZIJNNZQZPPNR-UHFFFAOYSA-N
XLogP4.49
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.26
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(2,4-dichlorophenyl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]furan-2-carboxamide with MolForge

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Related Compounds

5-(4-fluorophenyl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]furan-2-carboxamide
CID 1251286
N-(3-chloro-4-methylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 1321696
5-(2,4-dichlorophenyl)-N-(3,5-dimethylphenyl)furan-2-carboxamide
CID 23991423
5-(2,4-dichlorophenyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 17110826
5-(2,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 51057984
N-(5-bromo-6-methyl-2-pyridinyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 2237787
7-chloro-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1-benzoxepine-4-carboxamide
CID 20896565
N-(6-acetamido-1,3-benzoxazol-2-yl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 39380610
5-(2,4-dichlorophenyl)-N-hexylfuran-2-carboxamide
CID 3764379
N-(4-amino-2-chloro-6-methylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 100816673
N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 28669866
5-(2,4-dichlorophenyl)-N-[3-(hydroxymethyl)phenyl]furan-2-carboxamide
CID 9092313

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]furan-2-carboxamide?
The IUPAC name of 5-(2,4-dichlorophenyl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]furan-2-carboxamide (CID 2088903) is 5-(2,4-dichlorophenyl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]furan-2-carboxamide.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]furan-2-carboxamide?
The canonical SMILES for 5-(2,4-dichlorophenyl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]furan-2-carboxamide is CC(=O)Cc1nsc(NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)n1.
What is the InChIKey of 5-(2,4-dichlorophenyl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]furan-2-carboxamide?
The InChIKey is VKZIJNNZQZPPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N3O3S/c1-8(22)6-14-19-16(25-21-14)20-15(23)13-5-4-12(24-13)10-3-2-9(17)7-11(10)18/h2-5,7H,6H2,1H3,(H,19,20,21,23).
What are the key properties of 5-(2,4-dichlorophenyl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]furan-2-carboxamide?
5-(2,4-dichlorophenyl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]furan-2-carboxamide has a molecular weight of 396.26 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]furan-2-carboxamide is sourced from PubChem (CID 2088903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).