3-(4-acetyl-5-methylfuran-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide

C14H17N3O3S — CID 40715870

IUPAC3-(4-acetyl-5-methylfuran-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCc1nnc(NC(=O)CCc2cc(C(C)=O)c(C)o2)s1
InChIInChI=1S/C14H17N3O3S/c1-4-13-16-17-14(21-13)15-12(19)6-5-10-7-11(8(2)18)9(3)20-10/h7H,4-6H2,1-3H3,(H,15,17,19)
InChIKeyNOFGEGCHPQXISF-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.78
Rot. Bonds6

About 3-(4-acetyl-5-methylfuran-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide

3-(4-acetyl-5-methylfuran-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 40715870) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 3-(4-acetyl-5-methylfuran-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(4-acetyl-5-methylfuran-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID40715870
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name3-(4-acetyl-5-methylfuran-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCc1nnc(NC(=O)CCc2cc(C(C)=O)c(C)o2)s1
InChIInChI=1S/C14H17N3O3S/c1-4-13-16-17-14(21-13)15-12(19)6-5-10-7-11(8(2)18)9(3)20-10/h7H,4-6H2,1-3H3,(H,15,17,19)
InChIKeyNOFGEGCHPQXISF-UHFFFAOYSA-N
XLogP2.78
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-acetyl-5-methylfuran-2-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 9243689
3-(4-acetyl-5-methylfuran-2-yl)-N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 24505878
3-(4-acetyl-5-methylfuran-2-yl)-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 24506115
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 18089569
3-(2-aminophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride
CID 120607869
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(methylamino)propanamide
CID 107641879
3-(4-acetyl-5-methylfuran-2-yl)-N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]propanamide
CID 31284246
ethyl 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutanoate
CID 54787271
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(4-acetyl-5-methylfuran-2-yl)propanamide
CID 24506095
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)acetamide
CID 4628738
N-(4-chlorophenyl)-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide
CID 1400163
3-[3-(chloromethyl)-1,2,4-oxadiazol-5-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
CID 71296489

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetyl-5-methylfuran-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 3-(4-acetyl-5-methylfuran-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide (CID 40715870) is 3-(4-acetyl-5-methylfuran-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 3-(4-acetyl-5-methylfuran-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 3-(4-acetyl-5-methylfuran-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide is CCc1nnc(NC(=O)CCc2cc(C(C)=O)c(C)o2)s1.
What is the InChIKey of 3-(4-acetyl-5-methylfuran-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is NOFGEGCHPQXISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-4-13-16-17-14(21-13)15-12(19)6-5-10-7-11(8(2)18)9(3)20-10/h7H,4-6H2,1-3H3,(H,15,17,19).
What are the key properties of 3-(4-acetyl-5-methylfuran-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide?
3-(4-acetyl-5-methylfuran-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 307.38 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetyl-5-methylfuran-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 40715870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).