2-[2-(propylsulfonylamino)ethyl]-1,3-thiazole-4-carboxylic acid

C9H14N2O4S2 — CID 66374878

IUPAC2-[2-(propylsulfonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCCCS(=O)(=O)NCCc1nc(C(=O)O)cs1
InChIInChI=1S/C9H14N2O4S2/c1-2-5-17(14,15)10-4-3-8-11-7(6-16-8)9(12)13/h6,10H,2-5H2,1H3,(H,12,13)
InChIKeyNRZZDKJNLXWRNU-UHFFFAOYSA-N
MW278.35 g/mol
LogP0.71
Rot. Bonds7

About 2-[2-(propylsulfonylamino)ethyl]-1,3-thiazole-4-carboxylic acid

2-[2-(propylsulfonylamino)ethyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 66374878) has the molecular formula C9H14N2O4S2 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[2-(propylsulfonylamino)ethyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-(propylsulfonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
PubChem CID66374878
Molecular FormulaC9H14N2O4S2
Molecular Weight278.35 g/mol
Exact Mass278.04
IUPAC Name2-[2-(propylsulfonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCCCS(=O)(=O)NCCc1nc(C(=O)O)cs1
InChIInChI=1S/C9H14N2O4S2/c1-2-5-17(14,15)10-4-3-8-11-7(6-16-8)9(12)13/h6,10H,2-5H2,1H3,(H,12,13)
InChIKeyNRZZDKJNLXWRNU-UHFFFAOYSA-N
XLogP0.71
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(propylsulfamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 114806546
2-[2-(methylsulfonylmethylsulfonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 82840390
2-[2-(benzenesulfonamido)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374307
2-[[(3-ethoxy-3-oxopropyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380108
2-[2-(dipropylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373894
2-[2-(heptanoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374838
N-[2-(1,3-thiazol-2-yl)ethyl]propane-1-sulfonamide
CID 49460028
2-[2-oxo-2-(propylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 82154993
2-[(propylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66380294
2-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373952
2-[2-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 79845199
2-[2-[(2-ethoxy-2-oxoacetyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 110461569

Frequently Asked Questions

What is the IUPAC name of 2-[2-(propylsulfonylamino)ethyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[2-(propylsulfonylamino)ethyl]-1,3-thiazole-4-carboxylic acid (CID 66374878) is 2-[2-(propylsulfonylamino)ethyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[2-(propylsulfonylamino)ethyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[2-(propylsulfonylamino)ethyl]-1,3-thiazole-4-carboxylic acid is CCCS(=O)(=O)NCCc1nc(C(=O)O)cs1.
What is the InChIKey of 2-[2-(propylsulfonylamino)ethyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is NRZZDKJNLXWRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4S2/c1-2-5-17(14,15)10-4-3-8-11-7(6-16-8)9(12)13/h6,10H,2-5H2,1H3,(H,12,13).
What are the key properties of 2-[2-(propylsulfonylamino)ethyl]-1,3-thiazole-4-carboxylic acid?
2-[2-(propylsulfonylamino)ethyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 278.35 g/mol, XLogP of 0.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(propylsulfonylamino)ethyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 66374878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).