3-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]propanoic acid

C8H12N2O4S2 — CID 63280700

IUPAC3-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]propanoic acid
SMILESCc1ncsc1CNS(=O)(=O)CCC(=O)O
InChIInChI=1S/C8H12N2O4S2/c1-6-7(15-5-9-6)4-10-16(13,14)3-2-8(11)12/h5,10H,2-4H2,1H3,(H,11,12)
InChIKeyOPOOYIUITWMDOW-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.35
Rot. Bonds6

About 3-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]propanoic acid

3-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]propanoic acid (PubChem CID 63280700) has the molecular formula C8H12N2O4S2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]propanoic acid
PubChem CID63280700
Molecular FormulaC8H12N2O4S2
Molecular Weight264.33 g/mol
Exact Mass264.02
IUPAC Name3-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]propanoic acid
SMILESCc1ncsc1CNS(=O)(=O)CCC(=O)O
InChIInChI=1S/C8H12N2O4S2/c1-6-7(15-5-9-6)4-10-16(13,14)3-2-8(11)12/h5,10H,2-4H2,1H3,(H,11,12)
InChIKeyOPOOYIUITWMDOW-UHFFFAOYSA-N
XLogP0.35
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 ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(ethylamino)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanesulfonamide
CID 63283761
4-[(4-methyl-1,3-thiazol-5-yl)methylamino]-4-oxobutanoic acid
CID 63280743
3-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoylmethyl]benzoic acid
CID 63280975
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-piperazin-1-ylethanesulfonamide
CID 55170339
N-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-2-sulfonamide
CID 63373679
4-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 55248975
N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 63373165
5-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]furan-2-carboxylic acid
CID 63280526
4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]butanoic acid
CID 55261145
5-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]furan-2-carboxylic acid
CID 63280665
4-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]pentanoic acid
CID 63284168
3-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]propanoic acid
CID 61004286

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]propanoic acid?
The IUPAC name of 3-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]propanoic acid (CID 63280700) is 3-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]propanoic acid.
What is the SMILES notation for 3-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]propanoic acid?
The canonical SMILES for 3-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]propanoic acid is Cc1ncsc1CNS(=O)(=O)CCC(=O)O.
What is the InChIKey of 3-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]propanoic acid?
The InChIKey is OPOOYIUITWMDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4S2/c1-6-7(15-5-9-6)4-10-16(13,14)3-2-8(11)12/h5,10H,2-4H2,1H3,(H,11,12).
What are the key properties of 3-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]propanoic acid?
3-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]propanoic acid has a molecular weight of 264.33 g/mol, XLogP of 0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]propanoic acid is sourced from PubChem (CID 63280700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).