3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]propanoic acid

C7H10N2O4S2 — CID 103862594

IUPAC3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]propanoic acid
SMILESCc1ncc(S(=O)(=O)NCCC(=O)O)s1
InChIInChI=1S/C7H10N2O4S2/c1-5-8-4-7(14-5)15(12,13)9-3-2-6(10)11/h4,9H,2-3H2,1H3,(H,10,11)
InChIKeyXKMBYVTYXYLCMK-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.20
Rot. Bonds5

About 3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]propanoic acid

3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]propanoic acid (PubChem CID 103862594) has the molecular formula C7H10N2O4S2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]propanoic acid
PubChem CID103862594
Molecular FormulaC7H10N2O4S2
Molecular Weight250.30 g/mol
Exact Mass250.01
IUPAC Name3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]propanoic acid
SMILESCc1ncc(S(=O)(=O)NCCC(=O)O)s1
InChIInChI=1S/C7H10N2O4S2/c1-5-8-4-7(14-5)15(12,13)9-3-2-6(10)11/h4,9H,2-3H2,1H3,(H,10,11)
InChIKeyXKMBYVTYXYLCMK-UHFFFAOYSA-N
XLogP0.20
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxyethyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103847901
4-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]pentanoic acid
CID 104936317
N-(3-hydroxypentyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103847995
2-methyl-N-[2-(propylamino)ethyl]-1,3-thiazole-5-sulfonamide;hydrochloride
CID 120716098
N-(3-chlorobutyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103415939
N-[2-(4-hydroxyphenyl)ethyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 103847923
4-methyl-2-[[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]methyl]pentanoic acid
CID 103414340
3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]propanoic acid
CID 103099583
N-(2-hydroxybutyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103414895
3-[tert-butyl-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]amino]propanoic acid
CID 103414111
N-(2-bromopropyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103416040
N-(2-hydroxy-2-methylbutyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103847938

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]propanoic acid?
The IUPAC name of 3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]propanoic acid (CID 103862594) is 3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]propanoic acid.
What is the SMILES notation for 3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]propanoic acid?
The canonical SMILES for 3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]propanoic acid is Cc1ncc(S(=O)(=O)NCCC(=O)O)s1.
What is the InChIKey of 3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]propanoic acid?
The InChIKey is XKMBYVTYXYLCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O4S2/c1-5-8-4-7(14-5)15(12,13)9-3-2-6(10)11/h4,9H,2-3H2,1H3,(H,10,11).
What are the key properties of 3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]propanoic acid?
3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]propanoic acid has a molecular weight of 250.30 g/mol, XLogP of 0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]propanoic acid is sourced from PubChem (CID 103862594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).