2-[(2-methoxyethylsulfonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid

C9H14N2O5S2 — CID 55249184

IUPAC2-[(2-methoxyethylsulfonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCOCCS(=O)(=O)NCc1nc(C)c(C(=O)O)s1
InChIInChI=1S/C9H14N2O5S2/c1-6-8(9(12)13)17-7(11-6)5-10-18(14,15)4-3-16-2/h10H,3-5H2,1-2H3,(H,12,13)
InChIKeyHTPVUNXTBODEPX-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.22
Rot. Bonds7

About 2-[(2-methoxyethylsulfonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid

2-[(2-methoxyethylsulfonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 55249184) has the molecular formula C9H14N2O5S2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[(2-methoxyethylsulfonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[(2-methoxyethylsulfonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID55249184
Molecular FormulaC9H14N2O5S2
Molecular Weight294.35 g/mol
Exact Mass294.03
IUPAC Name2-[(2-methoxyethylsulfonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCOCCS(=O)(=O)NCc1nc(C)c(C(=O)O)s1
InChIInChI=1S/C9H14N2O5S2/c1-6-8(9(12)13)17-7(11-6)5-10-18(14,15)4-3-16-2/h10H,3-5H2,1-2H3,(H,12,13)
InChIKeyHTPVUNXTBODEPX-UHFFFAOYSA-N
XLogP0.22
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3-methoxypropylsulfonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63630174
2-[(butylsulfonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 55249373
2-[(cyclopropylmethylsulfonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 64987972
2-[(cyclohexylsulfonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63629344
2-[[[3-methoxypropyl(methyl)carbamoyl]amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63629038
2-[[(2-amino-5-methoxypentanoyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 81089320
2-[[(2-fluorophenyl)sulfonylamino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63628148
2-[(ethylcarbamoylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63628145
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-phenoxyethanesulfonamide
CID 91956267
2-[(2-ethoxyethylcarbamoylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63628503
2-[(3-ethoxypropanoylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 55248602
2-[[(1-ethylimidazol-4-yl)sulfonylamino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 79369136

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyethylsulfonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[(2-methoxyethylsulfonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid (CID 55249184) is 2-[(2-methoxyethylsulfonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[(2-methoxyethylsulfonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[(2-methoxyethylsulfonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid is COCCS(=O)(=O)NCc1nc(C)c(C(=O)O)s1.
What is the InChIKey of 2-[(2-methoxyethylsulfonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is HTPVUNXTBODEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O5S2/c1-6-8(9(12)13)17-7(11-6)5-10-18(14,15)4-3-16-2/h10H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 2-[(2-methoxyethylsulfonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
2-[(2-methoxyethylsulfonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 294.35 g/mol, XLogP of 0.22, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyethylsulfonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 55249184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).