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

C13H14N2O3S — CID 9243689

IUPAC3-(4-acetyl-5-methylfuran-2-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(=O)c1cc(CCC(=O)Nc2nccs2)oc1C
InChIInChI=1S/C13H14N2O3S/c1-8(16)11-7-10(18-9(11)2)3-4-12(17)15-13-14-5-6-19-13/h5-7H,3-4H2,1-2H3,(H,14,15,17)
InChIKeyFURSHCMRXJTDHR-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.82
Rot. Bonds5

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

3-(4-acetyl-5-methylfuran-2-yl)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 9243689) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 3-(4-acetyl-5-methylfuran-2-yl)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(4-acetyl-5-methylfuran-2-yl)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID9243689
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name3-(4-acetyl-5-methylfuran-2-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(=O)c1cc(CCC(=O)Nc2nccs2)oc1C
InChIInChI=1S/C13H14N2O3S/c1-8(16)11-7-10(18-9(11)2)3-4-12(17)15-13-14-5-6-19-13/h5-7H,3-4H2,1-2H3,(H,14,15,17)
InChIKeyFURSHCMRXJTDHR-UHFFFAOYSA-N
XLogP2.82
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-acetyl-5-methylfuran-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
CID 40715870
3-(4-acetyl-5-methylfuran-2-yl)-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 24506115
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(4-acetyl-5-methylfuran-2-yl)propanamide
CID 24506095
N,N'-bis(1,3-thiazol-2-yl)decanediamide
CID 17080102
3-acetamido-N-(1,3-thiazol-2-yl)propanamide
CID 2552425
3-[5-(4-fluorophenyl)furan-2-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 17015017
3-(4-tert-butylphenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 19221204
methanamine;N-(1,3-thiazol-2-yl)hexanamide
CID 143608752
3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 110678766
3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 4904052
2-(3-methylphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 6468138
[5-(aminomethyl)-2-methylfuran-3-yl]-(1,3-thiazol-2-yl)methanone
CID 67964674

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetyl-5-methylfuran-2-yl)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(4-acetyl-5-methylfuran-2-yl)-N-(1,3-thiazol-2-yl)propanamide (CID 9243689) is 3-(4-acetyl-5-methylfuran-2-yl)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(4-acetyl-5-methylfuran-2-yl)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(4-acetyl-5-methylfuran-2-yl)-N-(1,3-thiazol-2-yl)propanamide is CC(=O)c1cc(CCC(=O)Nc2nccs2)oc1C.
What is the InChIKey of 3-(4-acetyl-5-methylfuran-2-yl)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is FURSHCMRXJTDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-8(16)11-7-10(18-9(11)2)3-4-12(17)15-13-14-5-6-19-13/h5-7H,3-4H2,1-2H3,(H,14,15,17).
What are the key properties of 3-(4-acetyl-5-methylfuran-2-yl)-N-(1,3-thiazol-2-yl)propanamide?
3-(4-acetyl-5-methylfuran-2-yl)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 278.33 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetyl-5-methylfuran-2-yl)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 9243689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).