3-acetamido-N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]propanamide

C16H15N3O4S — CID 2117880

IUPAC3-acetamido-N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]propanamide
SMILESCC(=O)NCCC(=O)Nc1nc(-c2ccco2)c(-c2ccco2)s1
InChIInChI=1S/C16H15N3O4S/c1-10(20)17-7-6-13(21)18-16-19-14(11-4-2-8-22-11)15(24-16)12-5-3-9-23-12/h2-5,8-9H,6-7H2,1H3,(H,17,20)(H,18,19,21)
InChIKeyLUOCYMOCMROVGI-UHFFFAOYSA-N
MW345.38 g/mol
LogP3.13
Rot. Bonds6

About 3-acetamido-N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]propanamide

3-acetamido-N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]propanamide (PubChem CID 2117880) has the molecular formula C16H15N3O4S and a molecular weight of 345.38 g/mol. Its IUPAC name is 3-acetamido-N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-acetamido-N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]propanamide
PubChem CID2117880
Molecular FormulaC16H15N3O4S
Molecular Weight345.38 g/mol
Exact Mass345.08
IUPAC Name3-acetamido-N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]propanamide
SMILESCC(=O)NCCC(=O)Nc1nc(-c2ccco2)c(-c2ccco2)s1
InChIInChI=1S/C16H15N3O4S/c1-10(20)17-7-6-13(21)18-16-19-14(11-4-2-8-22-11)15(24-16)12-5-3-9-23-12/h2-5,8-9H,6-7H2,1H3,(H,17,20)(H,18,19,21)
InChIKeyLUOCYMOCMROVGI-UHFFFAOYSA-N
XLogP3.13
TPSA97.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-acetamido-N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]propanamide (CID 2117880) is 3-acetamido-N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-acetamido-N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-acetamido-N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]propanamide is CC(=O)NCCC(=O)Nc1nc(-c2ccco2)c(-c2ccco2)s1.
What is the InChIKey of 3-acetamido-N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is LUOCYMOCMROVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S/c1-10(20)17-7-6-13(21)18-16-19-14(11-4-2-8-22-11)15(24-16)12-5-3-9-23-12/h2-5,8-9H,6-7H2,1H3,(H,17,20)(H,18,19,21).
What are the key properties of 3-acetamido-N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]propanamide?
3-acetamido-N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 345.38 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 2117880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).