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

C6H9N3O4S2 — CID 114958949

IUPAC2-[1-(sulfamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCC(NS(N)(=O)=O)c1nc(C(=O)O)cs1
InChIInChI=1S/C6H9N3O4S2/c1-3(9-15(7,12)13)5-8-4(2-14-5)6(10)11/h2-3,9H,1H3,(H,10,11)(H2,7,12,13)
InChIKeyQHPAFQFUOSAXGD-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.30
Rot. Bonds4

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

2-[1-(sulfamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 114958949) has the molecular formula C6H9N3O4S2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[1-(sulfamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-(sulfamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
PubChem CID114958949
Molecular FormulaC6H9N3O4S2
Molecular Weight251.29 g/mol
Exact Mass251.00
IUPAC Name2-[1-(sulfamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCC(NS(N)(=O)=O)c1nc(C(=O)O)cs1
InChIInChI=1S/C6H9N3O4S2/c1-3(9-15(7,12)13)5-8-4(2-14-5)6(10)11/h2-3,9H,1H3,(H,10,11)(H2,7,12,13)
InChIKeyQHPAFQFUOSAXGD-UHFFFAOYSA-N
XLogP-0.30
TPSA122.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(methylsulfonylmethylsulfonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 82840243
2-[1-(methylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 105442108
2-[1-(pyridin-4-ylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66372975
2-[(1S)-1-hydroxyethyl]-1,3-thiazole-4-carboxylic acid
CID 45103110
2-[(1S)-1-[[2-[(1S)-1-aminoethyl]-1,3-thiazole-4-carbonyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid;hydrochloride
CID 16720895
2-[1-[(3-methylpiperidin-1-yl)sulfonylamino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66372954
2-[1-(prop-2-enoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66379617
2-[1-[(2-amino-3,3-dimethylbutanoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 77135788
2-[1-(pentan-2-ylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 107886517
2-[1-(thiadiazole-5-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66378842
2-[1-[(2-amino-2-cyclopropylpropanoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66379039
2-[1-[3-(ethylamino)propanoylamino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66379246

Frequently Asked Questions

What is the IUPAC name of 2-[1-(sulfamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[1-(sulfamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid (CID 114958949) is 2-[1-(sulfamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[1-(sulfamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[1-(sulfamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid is CC(NS(N)(=O)=O)c1nc(C(=O)O)cs1.
What is the InChIKey of 2-[1-(sulfamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is QHPAFQFUOSAXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O4S2/c1-3(9-15(7,12)13)5-8-4(2-14-5)6(10)11/h2-3,9H,1H3,(H,10,11)(H2,7,12,13).
What are the key properties of 2-[1-(sulfamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid?
2-[1-(sulfamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of -0.30, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(sulfamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 114958949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).