2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-(2-methylsulfinylphenyl)acetamide

C16H14N2O3S2 — CID 71923086

IUPAC2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-(2-methylsulfinylphenyl)acetamide
SMILESCS(=O)c1ccccc1NC(=O)Cc1csc(-c2ccoc2)n1
InChIInChI=1S/C16H14N2O3S2/c1-23(20)14-5-3-2-4-13(14)18-15(19)8-12-10-22-16(17-12)11-6-7-21-9-11/h2-7,9-10H,8H2,1H3,(H,18,19)
InChIKeyKCOFQDKFJGPYON-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.32
Rot. Bonds5

About 2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-(2-methylsulfinylphenyl)acetamide

2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-(2-methylsulfinylphenyl)acetamide (PubChem CID 71923086) has the molecular formula C16H14N2O3S2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-(2-methylsulfinylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-(2-methylsulfinylphenyl)acetamide
PubChem CID71923086
Molecular FormulaC16H14N2O3S2
Molecular Weight346.43 g/mol
Exact Mass346.04
IUPAC Name2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-(2-methylsulfinylphenyl)acetamide
SMILESCS(=O)c1ccccc1NC(=O)Cc1csc(-c2ccoc2)n1
InChIInChI=1S/C16H14N2O3S2/c1-23(20)14-5-3-2-4-13(14)18-15(19)8-12-10-22-16(17-12)11-6-7-21-9-11/h2-7,9-10H,8H2,1H3,(H,18,19)
InChIKeyKCOFQDKFJGPYON-UHFFFAOYSA-N
XLogP3.32
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-[2-(methylamino)ethyl]acetamide
CID 119502086
N-[2-(ethylamino)ethyl]-2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetamide
CID 119506982
3-[[2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetyl]amino]-2,2-dimethylpropanoic acid
CID 119249390
2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-(2-hydroxy-2,3-dimethylbutyl)acetamide
CID 111484065
2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-[2-(methylamino)propyl]acetamide;dihydrochloride
CID 120829889
N-(2-chlorophenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 8745943
4-[[2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetyl]amino]cyclohexane-1-carboxylic acid
CID 119229272
N-[1-(aminomethyl)cyclopentyl]-2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetamide
CID 119566614
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide
CID 30267673
N-(2-ethylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 9123420
2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-[(4-hydroxythian-4-yl)methyl]acetamide
CID 111484822
N-[2-(4-methylpiperazin-1-yl)phenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 18189834

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-(2-methylsulfinylphenyl)acetamide?
The IUPAC name of 2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-(2-methylsulfinylphenyl)acetamide (CID 71923086) is 2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-(2-methylsulfinylphenyl)acetamide.
What is the SMILES notation for 2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-(2-methylsulfinylphenyl)acetamide?
The canonical SMILES for 2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-(2-methylsulfinylphenyl)acetamide is CS(=O)c1ccccc1NC(=O)Cc1csc(-c2ccoc2)n1.
What is the InChIKey of 2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-(2-methylsulfinylphenyl)acetamide?
The InChIKey is KCOFQDKFJGPYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S2/c1-23(20)14-5-3-2-4-13(14)18-15(19)8-12-10-22-16(17-12)11-6-7-21-9-11/h2-7,9-10H,8H2,1H3,(H,18,19).
What are the key properties of 2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-(2-methylsulfinylphenyl)acetamide?
2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-(2-methylsulfinylphenyl)acetamide has a molecular weight of 346.43 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-(2-methylsulfinylphenyl)acetamide is sourced from PubChem (CID 71923086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).