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

C10H11N3O3S — CID 2162949

IUPACN-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
SMILESCCOCc1nnc(NC(=O)c2ccco2)s1
InChIInChI=1S/C10H11N3O3S/c1-2-15-6-8-12-13-10(17-8)11-9(14)7-4-3-5-16-7/h3-5H,2,6H2,1H3,(H,11,13,14)
InChIKeyZKVRULACOMHFJB-UHFFFAOYSA-N
MW253.28 g/mol
LogP1.92
Rot. Bonds5

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

N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide (PubChem CID 2162949) has the molecular formula C10H11N3O3S and a molecular weight of 253.28 g/mol. Its IUPAC name is N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
PubChem CID2162949
Molecular FormulaC10H11N3O3S
Molecular Weight253.28 g/mol
Exact Mass253.05
IUPAC NameN-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
SMILESCCOCc1nnc(NC(=O)c2ccco2)s1
InChIInChI=1S/C10H11N3O3S/c1-2-15-6-8-12-13-10(17-8)11-9(14)7-4-3-5-16-7/h3-5H,2,6H2,1H3,(H,11,13,14)
InChIKeyZKVRULACOMHFJB-UHFFFAOYSA-N
XLogP1.92
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 744744
N-[5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 5336169
N-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 5930483
N-[5-[(4-bromophenoxy)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 1387314
N-(2-propyltetrazol-5-yl)furan-2-carboxamide
CID 894157
N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 836941
N-(5-((2,4-dimethylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 659708
N-(5-(p-tolyl)-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 695191
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 795340
5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 874241
N-[5-(1-propylbutyl)-1,3,4-thiadiazol-2-yl]-2-furamide
CID 976184
Ethyl 2-((5-(furan-2-carboxamido)-1,3,4-thiadiazol-2-yl)thio)acetate
CID 3570554

Frequently Asked Questions

What is the IUPAC name of N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide (CID 2162949) is N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide is CCOCc1nnc(NC(=O)c2ccco2)s1.
What is the InChIKey of N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
The InChIKey is ZKVRULACOMHFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3S/c1-2-15-6-8-12-13-10(17-8)11-9(14)7-4-3-5-16-7/h3-5H,2,6H2,1H3,(H,11,13,14).
What are the key properties of N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide has a molecular weight of 253.28 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 2162949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).