N-(2-ethylsulfonylethyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide

C10H16N2O3S2 — CID 77092517

IUPACN-(2-ethylsulfonylethyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide
SMILESCCS(=O)(=O)CCNC(=O)c1nc(C)sc1C
InChIInChI=1S/C10H16N2O3S2/c1-4-17(14,15)6-5-11-10(13)9-7(2)16-8(3)12-9/h4-6H2,1-3H3,(H,11,13)
InChIKeyFCZFXGAIGPQKBT-UHFFFAOYSA-N
MW276.38 g/mol
LogP0.92
Rot. Bonds5

About N-(2-ethylsulfonylethyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide

N-(2-ethylsulfonylethyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide (PubChem CID 77092517) has the molecular formula C10H16N2O3S2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(2-ethylsulfonylethyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethylsulfonylethyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide
PubChem CID77092517
Molecular FormulaC10H16N2O3S2
Molecular Weight276.38 g/mol
Exact Mass276.06
IUPAC NameN-(2-ethylsulfonylethyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide
SMILESCCS(=O)(=O)CCNC(=O)c1nc(C)sc1C
InChIInChI=1S/C10H16N2O3S2/c1-4-17(14,15)6-5-11-10(13)9-7(2)16-8(3)12-9/h4-6H2,1-3H3,(H,11,13)
InChIKeyFCZFXGAIGPQKBT-UHFFFAOYSA-N
XLogP0.92
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfonylethyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-ethylsulfonylethyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide (CID 77092517) is N-(2-ethylsulfonylethyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-ethylsulfonylethyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-ethylsulfonylethyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide is CCS(=O)(=O)CCNC(=O)c1nc(C)sc1C.
What is the InChIKey of N-(2-ethylsulfonylethyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide?
The InChIKey is FCZFXGAIGPQKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S2/c1-4-17(14,15)6-5-11-10(13)9-7(2)16-8(3)12-9/h4-6H2,1-3H3,(H,11,13).
What are the key properties of N-(2-ethylsulfonylethyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide?
N-(2-ethylsulfonylethyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfonylethyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 77092517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).