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

C6H9N3O4S2 — CID 114805146

IUPAC2-[2-(methylsulfamoylamino)-1,3-thiazol-4-yl]acetic acid
SMILESCNS(=O)(=O)Nc1nc(CC(=O)O)cs1
InChIInChI=1S/C6H9N3O4S2/c1-7-15(12,13)9-6-8-4(3-14-6)2-5(10)11/h3,7H,2H2,1H3,(H,8,9)(H,10,11)
InChIKeyHOAHNZOCJQRNHI-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.35
Rot. Bonds5

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

2-[2-(methylsulfamoylamino)-1,3-thiazol-4-yl]acetic acid (PubChem CID 114805146) has the molecular formula C6H9N3O4S2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[2-(methylsulfamoylamino)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(methylsulfamoylamino)-1,3-thiazol-4-yl]acetic acid
PubChem CID114805146
Molecular FormulaC6H9N3O4S2
Molecular Weight251.29 g/mol
Exact Mass251.00
IUPAC Name2-[2-(methylsulfamoylamino)-1,3-thiazol-4-yl]acetic acid
SMILESCNS(=O)(=O)Nc1nc(CC(=O)O)cs1
InChIInChI=1S/C6H9N3O4S2/c1-7-15(12,13)9-6-8-4(3-14-6)2-5(10)11/h3,7H,2H2,1H3,(H,8,9)(H,10,11)
InChIKeyHOAHNZOCJQRNHI-UHFFFAOYSA-N
XLogP-0.35
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(propylsulfonylamino)-1,3-thiazol-4-yl]acetic acid
CID 16777075
2-[2-(dipropylsulfamoylamino)-1,3-thiazol-4-yl]acetic acid
CID 43361116
2-[2-[(4-methylsulfonylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 87546649
2-[2-(cyclopropylmethylsulfonylamino)-1,3-thiazol-4-yl]acetic acid
CID 64988064
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-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 103099582
methyl 2-[2-(methoxycarbonylsulfamoylamino)-1,3-thiazol-4-yl]acetate
CID 114465423
2-(2-formamido-1,3-thiazol-4-yl)acetic acid
CID 11286886
2-[2-(3-ethylpentan-3-ylamino)-1,3-thiazol-4-yl]acetic acid
CID 80576122
2-[2-[(3,4-dimethoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 20983652
2-[2-[(4-fluoro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 43344111

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylsulfamoylamino)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(methylsulfamoylamino)-1,3-thiazol-4-yl]acetic acid (CID 114805146) is 2-[2-(methylsulfamoylamino)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(methylsulfamoylamino)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(methylsulfamoylamino)-1,3-thiazol-4-yl]acetic acid is CNS(=O)(=O)Nc1nc(CC(=O)O)cs1.
What is the InChIKey of 2-[2-(methylsulfamoylamino)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is HOAHNZOCJQRNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O4S2/c1-7-15(12,13)9-6-8-4(3-14-6)2-5(10)11/h3,7H,2H2,1H3,(H,8,9)(H,10,11).
What are the key properties of 2-[2-(methylsulfamoylamino)-1,3-thiazol-4-yl]acetic acid?
2-[2-(methylsulfamoylamino)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 251.29 g/mol, XLogP of -0.35, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylsulfamoylamino)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 114805146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).