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

C11H12N2O4S2 — CID 143638089

IUPACN-[4-methyl-5-(5-methylsulfonylfuran-2-yl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2ccc(S(C)(=O)=O)o2)s1
InChIInChI=1S/C11H12N2O4S2/c1-6-10(18-11(12-6)13-7(2)14)8-4-5-9(17-8)19(3,15)16/h4-5H,1-3H3,(H,12,13,14)
InChIKeyJTVYVRJLPUATKS-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.07
Rot. Bonds3

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

N-[4-methyl-5-(5-methylsulfonylfuran-2-yl)-1,3-thiazol-2-yl]acetamide (PubChem CID 143638089) has the molecular formula C11H12N2O4S2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[4-methyl-5-(5-methylsulfonylfuran-2-yl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-5-(5-methylsulfonylfuran-2-yl)-1,3-thiazol-2-yl]acetamide
PubChem CID143638089
Molecular FormulaC11H12N2O4S2
Molecular Weight300.36 g/mol
Exact Mass300.02
IUPAC NameN-[4-methyl-5-(5-methylsulfonylfuran-2-yl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2ccc(S(C)(=O)=O)o2)s1
InChIInChI=1S/C11H12N2O4S2/c1-6-10(18-11(12-6)13-7(2)14)8-4-5-9(17-8)19(3,15)16/h4-5H,1-3H3,(H,12,13,14)
InChIKeyJTVYVRJLPUATKS-UHFFFAOYSA-N
XLogP2.07
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-(5-methylsulfonylfuran-2-yl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-methyl-5-(5-methylsulfonylfuran-2-yl)-1,3-thiazol-2-yl]acetamide (CID 143638089) is N-[4-methyl-5-(5-methylsulfonylfuran-2-yl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-methyl-5-(5-methylsulfonylfuran-2-yl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-methyl-5-(5-methylsulfonylfuran-2-yl)-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(-c2ccc(S(C)(=O)=O)o2)s1.
What is the InChIKey of N-[4-methyl-5-(5-methylsulfonylfuran-2-yl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is JTVYVRJLPUATKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4S2/c1-6-10(18-11(12-6)13-7(2)14)8-4-5-9(17-8)19(3,15)16/h4-5H,1-3H3,(H,12,13,14).
What are the key properties of N-[4-methyl-5-(5-methylsulfonylfuran-2-yl)-1,3-thiazol-2-yl]acetamide?
N-[4-methyl-5-(5-methylsulfonylfuran-2-yl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 300.36 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-(5-methylsulfonylfuran-2-yl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 143638089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).