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

C10H11N3O2S — CID 646084

IUPACN-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide
SMILESCCCC(=O)Nc1nnc(-c2ccco2)s1
InChIInChI=1S/C10H11N3O2S/c1-2-4-8(14)11-10-13-12-9(16-10)7-5-3-6-15-7/h3,5-6H,2,4H2,1H3,(H,11,13,14)
InChIKeyODFFBOFWIMRVHN-UHFFFAOYSA-N
MW237.28 g/mol
LogP2.54
Rot. Bonds4

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

N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide (PubChem CID 646084) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide.

Molecular Properties

Compound NameN-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide
PubChem CID646084
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC NameN-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide
SMILESCCCC(=O)Nc1nnc(-c2ccco2)s1
InChIInChI=1S/C10H11N3O2S/c1-2-4-8(14)11-10-13-12-9(16-10)7-5-3-6-15-7/h3,5-6H,2,4H2,1H3,(H,11,13,14)
InChIKeyODFFBOFWIMRVHN-UHFFFAOYSA-N
XLogP2.54
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide?
The IUPAC name of N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide (CID 646084) is N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide.
What is the SMILES notation for N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide?
The canonical SMILES for N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide is CCCC(=O)Nc1nnc(-c2ccco2)s1.
What is the InChIKey of N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide?
The InChIKey is ODFFBOFWIMRVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c1-2-4-8(14)11-10-13-12-9(16-10)7-5-3-6-15-7/h3,5-6H,2,4H2,1H3,(H,11,13,14).
What are the key properties of N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide?
N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide has a molecular weight of 237.28 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide is sourced from PubChem (CID 646084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).