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

C18H18N2O2S — CID 705778

IUPACN-(5-benzyl-1,3-thiazol-2-yl)-3-(5-methylfuran-2-yl)propanamide
SMILESCc1ccc(CCC(=O)Nc2ncc(Cc3ccccc3)s2)o1
InChIInChI=1S/C18H18N2O2S/c1-13-7-8-15(22-13)9-10-17(21)20-18-19-12-16(23-18)11-14-5-3-2-4-6-14/h2-8,12H,9-11H2,1H3,(H,19,20,21)
InChIKeyYIJKXESPUJNJGY-UHFFFAOYSA-N
MW326.42 g/mol
LogP4.21
Rot. Bonds6

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

N-(5-benzyl-1,3-thiazol-2-yl)-3-(5-methylfuran-2-yl)propanamide (PubChem CID 705778) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-(5-benzyl-1,3-thiazol-2-yl)-3-(5-methylfuran-2-yl)propanamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3-thiazol-2-yl)-3-(5-methylfuran-2-yl)propanamide
PubChem CID705778
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC NameN-(5-benzyl-1,3-thiazol-2-yl)-3-(5-methylfuran-2-yl)propanamide
SMILESCc1ccc(CCC(=O)Nc2ncc(Cc3ccccc3)s2)o1
InChIInChI=1S/C18H18N2O2S/c1-13-7-8-15(22-13)9-10-17(21)20-18-19-12-16(23-18)11-14-5-3-2-4-6-14/h2-8,12H,9-11H2,1H3,(H,19,20,21)
InChIKeyYIJKXESPUJNJGY-UHFFFAOYSA-N
XLogP4.21
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-3-(5-methylfuran-2-yl)propanamide?
The IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-3-(5-methylfuran-2-yl)propanamide (CID 705778) is N-(5-benzyl-1,3-thiazol-2-yl)-3-(5-methylfuran-2-yl)propanamide.
What is the SMILES notation for N-(5-benzyl-1,3-thiazol-2-yl)-3-(5-methylfuran-2-yl)propanamide?
The canonical SMILES for N-(5-benzyl-1,3-thiazol-2-yl)-3-(5-methylfuran-2-yl)propanamide is Cc1ccc(CCC(=O)Nc2ncc(Cc3ccccc3)s2)o1.
What is the InChIKey of N-(5-benzyl-1,3-thiazol-2-yl)-3-(5-methylfuran-2-yl)propanamide?
The InChIKey is YIJKXESPUJNJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-13-7-8-15(22-13)9-10-17(21)20-18-19-12-16(23-18)11-14-5-3-2-4-6-14/h2-8,12H,9-11H2,1H3,(H,19,20,21).
What are the key properties of N-(5-benzyl-1,3-thiazol-2-yl)-3-(5-methylfuran-2-yl)propanamide?
N-(5-benzyl-1,3-thiazol-2-yl)-3-(5-methylfuran-2-yl)propanamide has a molecular weight of 326.42 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3-thiazol-2-yl)-3-(5-methylfuran-2-yl)propanamide is sourced from PubChem (CID 705778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).