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

C9H9N3O2S — CID 2991856

IUPAC4,5-dimethyl-N-(1,3,4-thiadiazol-2-yl)furan-2-carboxamide
SMILESCc1cc(C(=O)Nc2nncs2)oc1C
InChIInChI=1S/C9H9N3O2S/c1-5-3-7(14-6(5)2)8(13)11-9-12-10-4-15-9/h3-4H,1-2H3,(H,11,12,13)
InChIKeyZGEPDJKLDAAJES-UHFFFAOYSA-N
MW223.26 g/mol
LogP2.00
Rot. Bonds2

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

4,5-dimethyl-N-(1,3,4-thiadiazol-2-yl)furan-2-carboxamide (PubChem CID 2991856) has the molecular formula C9H9N3O2S and a molecular weight of 223.26 g/mol. Its IUPAC name is 4,5-dimethyl-N-(1,3,4-thiadiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-N-(1,3,4-thiadiazol-2-yl)furan-2-carboxamide
PubChem CID2991856
Molecular FormulaC9H9N3O2S
Molecular Weight223.26 g/mol
Exact Mass223.04
IUPAC Name4,5-dimethyl-N-(1,3,4-thiadiazol-2-yl)furan-2-carboxamide
SMILESCc1cc(C(=O)Nc2nncs2)oc1C
InChIInChI=1S/C9H9N3O2S/c1-5-3-7(14-6(5)2)8(13)11-9-12-10-4-15-9/h3-4H,1-2H3,(H,11,12,13)
InChIKeyZGEPDJKLDAAJES-UHFFFAOYSA-N
XLogP2.00
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 836941
N-[(2-methyl-2H-tetrazol-5-yl)carbamothioyl]furan-2-carboxamide
CID 2950680
N-{5-[(3-methylbenzyl)thio]-1,3,4-thiadiazol-2-yl}-2-furamide
CID 1242827
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-5-methylfuran-2-carboxamide
CID 1246448
N-(5-{[2-(4-methylphenoxy)ethyl]thio}-1,3,4-thiadiazol-2-yl)-2-furamide
CID 2199587
N-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 2370927
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methylfuran-2-carboxamide
CID 2098700
N-{5-[(2-methoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}furan-2-carboxamide
CID 2218585
N-[5-(propylsulfanyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 4260484
N-(5-(isopropylthio)-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 7095488
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-methylfuran-2-carboxamide
CID 897940
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 871965

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-(1,3,4-thiadiazol-2-yl)furan-2-carboxamide?
The IUPAC name of 4,5-dimethyl-N-(1,3,4-thiadiazol-2-yl)furan-2-carboxamide (CID 2991856) is 4,5-dimethyl-N-(1,3,4-thiadiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for 4,5-dimethyl-N-(1,3,4-thiadiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for 4,5-dimethyl-N-(1,3,4-thiadiazol-2-yl)furan-2-carboxamide is Cc1cc(C(=O)Nc2nncs2)oc1C.
What is the InChIKey of 4,5-dimethyl-N-(1,3,4-thiadiazol-2-yl)furan-2-carboxamide?
The InChIKey is ZGEPDJKLDAAJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2S/c1-5-3-7(14-6(5)2)8(13)11-9-12-10-4-15-9/h3-4H,1-2H3,(H,11,12,13).
What are the key properties of 4,5-dimethyl-N-(1,3,4-thiadiazol-2-yl)furan-2-carboxamide?
4,5-dimethyl-N-(1,3,4-thiadiazol-2-yl)furan-2-carboxamide has a molecular weight of 223.26 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-(1,3,4-thiadiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 2991856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).