2-[2-(propylsulfonylamino)-1,3-thiazol-4-yl]acetic acid

C8H12N2O4S2 — CID 16777075

IUPAC2-[2-(propylsulfonylamino)-1,3-thiazol-4-yl]acetic acid
SMILESCCCS(=O)(=O)Nc1nc(CC(=O)O)cs1
InChIInChI=1S/C8H12N2O4S2/c1-2-3-16(13,14)10-8-9-6(5-15-8)4-7(11)12/h5H,2-4H2,1H3,(H,9,10)(H,11,12)
InChIKeyNNIYZNYIWMCDGA-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.92
Rot. Bonds6

About 2-[2-(propylsulfonylamino)-1,3-thiazol-4-yl]acetic acid

2-[2-(propylsulfonylamino)-1,3-thiazol-4-yl]acetic acid (PubChem CID 16777075) has the molecular formula C8H12N2O4S2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-[2-(propylsulfonylamino)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(propylsulfonylamino)-1,3-thiazol-4-yl]acetic acid
PubChem CID16777075
Molecular FormulaC8H12N2O4S2
Molecular Weight264.33 g/mol
Exact Mass264.02
IUPAC Name2-[2-(propylsulfonylamino)-1,3-thiazol-4-yl]acetic acid
SMILESCCCS(=O)(=O)Nc1nc(CC(=O)O)cs1
InChIInChI=1S/C8H12N2O4S2/c1-2-3-16(13,14)10-8-9-6(5-15-8)4-7(11)12/h5H,2-4H2,1H3,(H,9,10)(H,11,12)
InChIKeyNNIYZNYIWMCDGA-UHFFFAOYSA-N
XLogP0.92
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(methylsulfamoylamino)-1,3-thiazol-4-yl]acetic acid
CID 114805146
2-[2-(dipropylsulfamoylamino)-1,3-thiazol-4-yl]acetic acid
CID 43361116
2-[2-(cyclopropylmethylsulfonylamino)-1,3-thiazol-4-yl]acetic acid
CID 64988064
methyl 2-[2-(2-methoxyethylsulfonylamino)-1,3-thiazol-4-yl]acetate
CID 55014446
2-[2-[(4-methylsulfonylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 87546649
2-[2-(pentylamino)-1,3-thiazol-4-yl]acetic acid
CID 80575582
2-[2-(3-ethylpentan-3-ylamino)-1,3-thiazol-4-yl]acetic acid
CID 80576122
2-[2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 62063668
2-[2-(2,2-dimethylhydrazinyl)-1,3-thiazol-4-yl]acetic acid
CID 83023966
2-[2-[[(2S,3S)-3-methylpentan-2-yl]amino]-1,3-thiazol-4-yl]acetic acid
CID 124512662
2-[2-(2-methylbutanoylamino)-1,3-thiazol-4-yl]acetic acid
CID 16791992
2-[2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 103099582

Frequently Asked Questions

What is the IUPAC name of 2-[2-(propylsulfonylamino)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(propylsulfonylamino)-1,3-thiazol-4-yl]acetic acid (CID 16777075) is 2-[2-(propylsulfonylamino)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(propylsulfonylamino)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(propylsulfonylamino)-1,3-thiazol-4-yl]acetic acid is CCCS(=O)(=O)Nc1nc(CC(=O)O)cs1.
What is the InChIKey of 2-[2-(propylsulfonylamino)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is NNIYZNYIWMCDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4S2/c1-2-3-16(13,14)10-8-9-6(5-15-8)4-7(11)12/h5H,2-4H2,1H3,(H,9,10)(H,11,12).
What are the key properties of 2-[2-(propylsulfonylamino)-1,3-thiazol-4-yl]acetic acid?
2-[2-(propylsulfonylamino)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 264.33 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(propylsulfonylamino)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 16777075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).