N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,5-dimethylfuran-3-carboxamide

C11H13N3O2S — CID 2555103

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,5-dimethylfuran-3-carboxamide
SMILESCCc1nnc(NC(=O)c2cc(C)oc2C)s1
InChIInChI=1S/C11H13N3O2S/c1-4-9-13-14-11(17-9)12-10(15)8-5-6(2)16-7(8)3/h5H,4H2,1-3H3,(H,12,14,15)
InChIKeyTVUFLDIARTVDDB-UHFFFAOYSA-N
MW251.31 g/mol
LogP2.56
Rot. Bonds3

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,5-dimethylfuran-3-carboxamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,5-dimethylfuran-3-carboxamide (PubChem CID 2555103) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,5-dimethylfuran-3-carboxamide
PubChem CID2555103
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,5-dimethylfuran-3-carboxamide
SMILESCCc1nnc(NC(=O)c2cc(C)oc2C)s1
InChIInChI=1S/C11H13N3O2S/c1-4-9-13-14-11(17-9)12-10(15)8-5-6(2)16-7(8)3/h5H,4H2,1-3H3,(H,12,14,15)
InChIKeyTVUFLDIARTVDDB-UHFFFAOYSA-N
XLogP2.56
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,5-dimethylfuran-3-carboxamide (CID 2555103) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,5-dimethylfuran-3-carboxamide is CCc1nnc(NC(=O)c2cc(C)oc2C)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,5-dimethylfuran-3-carboxamide?
The InChIKey is TVUFLDIARTVDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-4-9-13-14-11(17-9)12-10(15)8-5-6(2)16-7(8)3/h5H,4H2,1-3H3,(H,12,14,15).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,5-dimethylfuran-3-carboxamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,5-dimethylfuran-3-carboxamide has a molecular weight of 251.31 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 2555103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).