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

C17H16N2O3S2 — CID 42892126

IUPAC2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfinyl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CS(=O)Cc2csc(-c3ccco3)n2)c1
InChIInChI=1S/C17H16N2O3S2/c1-12-4-2-5-13(8-12)18-16(20)11-24(21)10-14-9-23-17(19-14)15-6-3-7-22-15/h2-9H,10-11H2,1H3,(H,18,20)
InChIKeyPUZRMSOUKUGBGA-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.60
Rot. Bonds6

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

2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfinyl]-N-(3-methylphenyl)acetamide (PubChem CID 42892126) has the molecular formula C17H16N2O3S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfinyl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfinyl]-N-(3-methylphenyl)acetamide
PubChem CID42892126
Molecular FormulaC17H16N2O3S2
Molecular Weight360.46 g/mol
Exact Mass360.06
IUPAC Name2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfinyl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CS(=O)Cc2csc(-c3ccco3)n2)c1
InChIInChI=1S/C17H16N2O3S2/c1-12-4-2-5-13(8-12)18-16(20)11-24(21)10-14-9-23-17(19-14)15-6-3-7-22-15/h2-9H,10-11H2,1H3,(H,18,20)
InChIKeyPUZRMSOUKUGBGA-UHFFFAOYSA-N
XLogP3.60
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 31669164
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 32895200
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[(2R)-2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 39223987
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 24665733
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 24664236
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetohydrazide
CID 43132204
2-(furan-2-yl)-4-(3-phenylprop-2-enylsulfinylmethyl)-1,3-thiazole
CID 71878523
2-(furan-2-yl)-4-[[(E)-3-phenylprop-2-enyl]sulfinylmethyl]-1,3-thiazole
CID 75364758
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide
CID 46570125
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 46559443
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 7176378
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[(3-methyloxetan-3-yl)methyl]acetamide
CID 78956632

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfinyl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfinyl]-N-(3-methylphenyl)acetamide (CID 42892126) is 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfinyl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfinyl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfinyl]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CS(=O)Cc2csc(-c3ccco3)n2)c1.
What is the InChIKey of 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfinyl]-N-(3-methylphenyl)acetamide?
The InChIKey is PUZRMSOUKUGBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S2/c1-12-4-2-5-13(8-12)18-16(20)11-24(21)10-14-9-23-17(19-14)15-6-3-7-22-15/h2-9H,10-11H2,1H3,(H,18,20).
What are the key properties of 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfinyl]-N-(3-methylphenyl)acetamide?
2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfinyl]-N-(3-methylphenyl)acetamide has a molecular weight of 360.46 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfinyl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 42892126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).