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

C10H11N3O2S — CID 744054

IUPACN-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nnc(-c2ccco2)s1
InChIInChI=1S/C10H11N3O2S/c1-6(2)8(14)11-10-13-12-9(16-10)7-4-3-5-15-7/h3-6H,1-2H3,(H,11,13,14)
InChIKeyPJGALMJKAJXGOO-UHFFFAOYSA-N
MW237.28 g/mol
LogP2.39
Rot. Bonds3

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

N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide (PubChem CID 744054) 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]-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
PubChem CID744054
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC NameN-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nnc(-c2ccco2)s1
InChIInChI=1S/C10H11N3O2S/c1-6(2)8(14)11-10-13-12-9(16-10)7-4-3-5-15-7/h3-6H,1-2H3,(H,11,13,14)
InChIKeyPJGALMJKAJXGOO-UHFFFAOYSA-N
XLogP2.39
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 52.39
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]-2-methylpropanamide?
The IUPAC name of N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide (CID 744054) is N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide is CC(C)C(=O)Nc1nnc(-c2ccco2)s1.
What is the InChIKey of N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide?
The InChIKey is PJGALMJKAJXGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c1-6(2)8(14)11-10-13-12-9(16-10)7-4-3-5-15-7/h3-6H,1-2H3,(H,11,13,14).
What are the key properties of N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide?
N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide has a molecular weight of 237.28 g/mol, XLogP of 2.39, 3 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]-2-methylpropanamide is sourced from PubChem (CID 744054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).