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

C9H15N3O4S2 — CID 114806546

IUPAC2-[2-(propylsulfamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCCCNS(=O)(=O)NCCc1nc(C(=O)O)cs1
InChIInChI=1S/C9H15N3O4S2/c1-2-4-10-18(15,16)11-5-3-8-12-7(6-17-8)9(13)14/h6,10-11H,2-5H2,1H3,(H,13,14)
InChIKeyHZHZDCNMQVPSRG-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.22
Rot. Bonds8

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

2-[2-(propylsulfamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 114806546) has the molecular formula C9H15N3O4S2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[2-(propylsulfamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-(propylsulfamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
PubChem CID114806546
Molecular FormulaC9H15N3O4S2
Molecular Weight293.37 g/mol
Exact Mass293.05
IUPAC Name2-[2-(propylsulfamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCCCNS(=O)(=O)NCCc1nc(C(=O)O)cs1
InChIInChI=1S/C9H15N3O4S2/c1-2-4-10-18(15,16)11-5-3-8-12-7(6-17-8)9(13)14/h6,10-11H,2-5H2,1H3,(H,13,14)
InChIKeyHZHZDCNMQVPSRG-UHFFFAOYSA-N
XLogP0.22
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(propylsulfonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374878
2-[2-(methylsulfonylmethylsulfonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 82840390
2-[2-(benzenesulfonamido)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374307
2-[2-oxo-2-(propylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 82154993
2-[(propylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66380294
2-[2-(dipropylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373894
2-[2-(heptanoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374838
2-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373952
2-[2-[(2-ethoxy-2-oxoacetyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 110461569
2-[2-[(2-methoxy-2-methylbutanoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 114105269
2-[2-(4-ethylphenyl)ethyl]-1,3-thiazole-4-carboxylic acid
CID 82302250
2-[2-[(6-propylpyrimidin-4-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374330

Frequently Asked Questions

What is the IUPAC name of 2-[2-(propylsulfamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[2-(propylsulfamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid (CID 114806546) is 2-[2-(propylsulfamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[2-(propylsulfamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[2-(propylsulfamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid is CCCNS(=O)(=O)NCCc1nc(C(=O)O)cs1.
What is the InChIKey of 2-[2-(propylsulfamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is HZHZDCNMQVPSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4S2/c1-2-4-10-18(15,16)11-5-3-8-12-7(6-17-8)9(13)14/h6,10-11H,2-5H2,1H3,(H,13,14).
What are the key properties of 2-[2-(propylsulfamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid?
2-[2-(propylsulfamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 293.37 g/mol, XLogP of 0.22, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(propylsulfamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 114806546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).