N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]oxamide

C13H16N4O4S2 — CID 108530246

IUPACN'-(4,5-dihydro-1,3-thiazol-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]oxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)C(=O)NC2=NCCS2)cc1
InChIInChI=1S/C13H16N4O4S2/c14-23(20,21)10-3-1-9(2-4-10)5-6-15-11(18)12(19)17-13-16-7-8-22-13/h1-4H,5-8H2,(H,15,18)(H2,14,20,21)(H,16,17,19)
InChIKeyOORPXXMBJJUZBP-UHFFFAOYSA-N
MW356.43 g/mol
LogP-0.79
Rot. Bonds4

About N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]oxamide

N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]oxamide (PubChem CID 108530246) has the molecular formula C13H16N4O4S2 and a molecular weight of 356.43 g/mol. Its IUPAC name is N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(4,5-dihydro-1,3-thiazol-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]oxamide
PubChem CID108530246
Molecular FormulaC13H16N4O4S2
Molecular Weight356.43 g/mol
Exact Mass356.06
IUPAC NameN'-(4,5-dihydro-1,3-thiazol-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]oxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)C(=O)NC2=NCCS2)cc1
InChIInChI=1S/C13H16N4O4S2/c14-23(20,21)10-3-1-9(2-4-10)5-6-15-11(18)12(19)17-13-16-7-8-22-13/h1-4H,5-8H2,(H,15,18)(H2,14,20,21)(H,16,17,19)
InChIKeyOORPXXMBJJUZBP-UHFFFAOYSA-N
XLogP-0.79
TPSA130.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

4-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)ethyl]benzenesulfonamide
CID 54995967
N-[2-(4-hydroxyphenyl)ethyl]-N'-[2-(4-sulfamoylphenyl)ethyl]oxamide
CID 108503154
N'-(5-hydroxynaphthalen-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]oxamide
CID 108509374
2-oxo-2-piperidin-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 108517282
N'-(3H-benzimidazol-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]oxamide
CID 108529242
4-[(5,6-dihydro-4H-1,3-thiazin-2-ylamino)methyl]benzenesulfonamide
CID 29068145
N-(3-morpholin-4-ylpropyl)-N'-[2-(4-sulfamoylphenyl)ethyl]oxamide
CID 108518499
(2S)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-sulfamoylphenyl)propanamide
CID 9454357
(E)-N-[2-(4-sulfamoylphenyl)ethyl]but-2-enamide
CID 23320209
4-oxo-4-[2-(4-sulfamoylphenyl)ethylamino]but-2-enoic acid
CID 4548807
2-(4-sulfamoylphenyl)ethylcarbamodithioic acid
CID 82593514
3-amino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 10707262

Frequently Asked Questions

What is the IUPAC name of N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]oxamide?
The IUPAC name of N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]oxamide (CID 108530246) is N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]oxamide.
What is the SMILES notation for N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]oxamide?
The canonical SMILES for N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]oxamide is NS(=O)(=O)c1ccc(CCNC(=O)C(=O)NC2=NCCS2)cc1.
What is the InChIKey of N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]oxamide?
The InChIKey is OORPXXMBJJUZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O4S2/c14-23(20,21)10-3-1-9(2-4-10)5-6-15-11(18)12(19)17-13-16-7-8-22-13/h1-4H,5-8H2,(H,15,18)(H2,14,20,21)(H,16,17,19).
What are the key properties of N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]oxamide?
N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]oxamide has a molecular weight of 356.43 g/mol, XLogP of -0.79, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]oxamide is sourced from PubChem (CID 108530246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).