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

C8H12N2O3S2 — CID 504547

IUPACN-[4-(ethylsulfonylmethyl)-1,3-thiazol-2-yl]acetamide
SMILESCCS(=O)(=O)Cc1csc(NC(C)=O)n1
InChIInChI=1S/C8H12N2O3S2/c1-3-15(12,13)5-7-4-14-8(10-7)9-6(2)11/h4H,3,5H2,1-2H3,(H,9,10,11)
InChIKeyNOMMNGYMTKGDPX-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.04
Rot. Bonds4

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

N-[4-(ethylsulfonylmethyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 504547) has the molecular formula C8H12N2O3S2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[4-(ethylsulfonylmethyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(ethylsulfonylmethyl)-1,3-thiazol-2-yl]acetamide
PubChem CID504547
Molecular FormulaC8H12N2O3S2
Molecular Weight248.33 g/mol
Exact Mass248.03
IUPAC NameN-[4-(ethylsulfonylmethyl)-1,3-thiazol-2-yl]acetamide
SMILESCCS(=O)(=O)Cc1csc(NC(C)=O)n1
InChIInChI=1S/C8H12N2O3S2/c1-3-15(12,13)5-7-4-14-8(10-7)9-6(2)11/h4H,3,5H2,1-2H3,(H,9,10,11)
InChIKeyNOMMNGYMTKGDPX-UHFFFAOYSA-N
XLogP1.04
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylsulfonylmethyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-(ethylsulfonylmethyl)-1,3-thiazol-2-yl]acetamide (CID 504547) is N-[4-(ethylsulfonylmethyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-(ethylsulfonylmethyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-(ethylsulfonylmethyl)-1,3-thiazol-2-yl]acetamide is CCS(=O)(=O)Cc1csc(NC(C)=O)n1.
What is the InChIKey of N-[4-(ethylsulfonylmethyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is NOMMNGYMTKGDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3S2/c1-3-15(12,13)5-7-4-14-8(10-7)9-6(2)11/h4H,3,5H2,1-2H3,(H,9,10,11).
What are the key properties of N-[4-(ethylsulfonylmethyl)-1,3-thiazol-2-yl]acetamide?
N-[4-(ethylsulfonylmethyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 248.33 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylsulfonylmethyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 504547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).