N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide

C18H18N2O2S — CID 2466133

IUPACN-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
SMILESCc1ccc(CN(C)C(=O)Cc2csc(-c3ccccc3)n2)o1
InChIInChI=1S/C18H18N2O2S/c1-13-8-9-16(22-13)11-20(2)17(21)10-15-12-23-18(19-15)14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3
InChIKeyMLBANOIHABPXQE-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.91
Rot. Bonds5

About N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide

N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide (PubChem CID 2466133) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
PubChem CID2466133
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
SMILESCc1ccc(CN(C)C(=O)Cc2csc(-c3ccccc3)n2)o1
InChIInChI=1S/C18H18N2O2S/c1-13-8-9-16(22-13)11-20(2)17(21)10-15-12-23-18(19-15)14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3
InChIKeyMLBANOIHABPXQE-UHFFFAOYSA-N
XLogP3.91
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide (CID 2466133) is N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide is Cc1ccc(CN(C)C(=O)Cc2csc(-c3ccccc3)n2)o1.
What is the InChIKey of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is MLBANOIHABPXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-13-8-9-16(22-13)11-20(2)17(21)10-15-12-23-18(19-15)14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3.
What are the key properties of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 326.42 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 2466133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).