5-(2-chlorophenyl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide

C15H12ClN3O2S2 — CID 18194431

IUPAC5-(2-chlorophenyl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
SMILESCCSc1nnc(NC(=O)c2ccc(-c3ccccc3Cl)o2)s1
InChIInChI=1S/C15H12ClN3O2S2/c1-2-22-15-19-18-14(23-15)17-13(20)12-8-7-11(21-12)9-5-3-4-6-10(9)16/h3-8H,2H2,1H3,(H,17,18,20)
InChIKeyBMQYPJLJGFQBOD-UHFFFAOYSA-N
MW365.87 g/mol
LogP4.82
Rot. Bonds5

About 5-(2-chlorophenyl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide

5-(2-chlorophenyl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide (PubChem CID 18194431) has the molecular formula C15H12ClN3O2S2 and a molecular weight of 365.87 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
PubChem CID18194431
Molecular FormulaC15H12ClN3O2S2
Molecular Weight365.87 g/mol
Exact Mass365.01
IUPAC Name5-(2-chlorophenyl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
SMILESCCSc1nnc(NC(=O)c2ccc(-c3ccccc3Cl)o2)s1
InChIInChI=1S/C15H12ClN3O2S2/c1-2-22-15-19-18-14(23-15)17-13(20)12-8-7-11(21-12)9-5-3-4-6-10(9)16/h3-8H,2H2,1H3,(H,17,18,20)
InChIKeyBMQYPJLJGFQBOD-UHFFFAOYSA-N
XLogP4.82
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.87
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Related Compounds

N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-(2-fluorophenyl)furan-2-carboxamide
CID 2984726
1-N,2-N-bis(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzene-1,2-dicarboxamide
CID 3636543
5-(2-chlorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 945346
5-(2-chlorophenyl)-N-ethylfuran-2-carboxamide
CID 51188744
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-oxoisochromene-3-carboxamide
CID 4911376
2-chloro-N-[1-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl]benzamide
CID 4964166
5-(2-chlorophenyl)-N-propylfuran-2-carboxamide
CID 5262410
3-[(2-chlorophenyl)methoxy]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
CID 100603324
6-chloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-7-methyl-4-oxochromene-2-carboxamide
CID 4975440
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide
CID 43840707
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide
CID 872286
2-(benzylamino)-5-chloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide
CID 53384944

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide?
The IUPAC name of 5-(2-chlorophenyl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide (CID 18194431) is 5-(2-chlorophenyl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for 5-(2-chlorophenyl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for 5-(2-chlorophenyl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide is CCSc1nnc(NC(=O)c2ccc(-c3ccccc3Cl)o2)s1.
What is the InChIKey of 5-(2-chlorophenyl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide?
The InChIKey is BMQYPJLJGFQBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2S2/c1-2-22-15-19-18-14(23-15)17-13(20)12-8-7-11(21-12)9-5-3-4-6-10(9)16/h3-8H,2H2,1H3,(H,17,18,20).
What are the key properties of 5-(2-chlorophenyl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide?
5-(2-chlorophenyl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide has a molecular weight of 365.87 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 18194431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).