4-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)ethyl]benzenesulfonamide

C11H15N3O2S2 — CID 54995967

IUPAC4-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNC2=NCCS2)cc1
InChIInChI=1S/C11H15N3O2S2/c12-18(15,16)10-3-1-9(2-4-10)5-6-13-11-14-7-8-17-11/h1-4H,5-8H2,(H,13,14)(H2,12,15,16)
InChIKeyIWRLMOSSCHMWMA-UHFFFAOYSA-N
MW285.39 g/mol
LogP0.57
Rot. Bonds4

About 4-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)ethyl]benzenesulfonamide

4-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)ethyl]benzenesulfonamide (PubChem CID 54995967) has the molecular formula C11H15N3O2S2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)ethyl]benzenesulfonamide
PubChem CID54995967
Molecular FormulaC11H15N3O2S2
Molecular Weight285.39 g/mol
Exact Mass285.06
IUPAC Name4-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNC2=NCCS2)cc1
InChIInChI=1S/C11H15N3O2S2/c12-18(15,16)10-3-1-9(2-4-10)5-6-13-11-14-7-8-17-11/h1-4H,5-8H2,(H,13,14)(H2,12,15,16)
InChIKeyIWRLMOSSCHMWMA-UHFFFAOYSA-N
XLogP0.57
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]oxamide
CID 108530246
4-[(5,6-dihydro-4H-1,3-thiazin-2-ylamino)methyl]benzenesulfonamide
CID 29068145
4-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]benzenesulfonamide
CID 120969031
4-[2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzenesulfonamide
CID 133366022
4-[2-(thian-4-ylamino)ethyl]benzenesulfonamide
CID 54995674
4-[2-[(3-aminocyclobutyl)amino]ethyl]benzenesulfonamide
CID 80560838
4-[2-[(3-cyanopyrazin-2-yl)amino]ethyl]benzenesulfonamide
CID 60620125
(2S)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-sulfamoylphenyl)propanamide
CID 9454357
4-[2-[(5-bromo-2-chloropyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 106194577
4-[2-[(3-bromo-5-chloro-2-pyridinyl)amino]ethyl]benzenesulfonamide
CID 114835817
4-[2-[[6-(2-phenylethylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112861041
4-[2-[[6-(trifluoromethyl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide
CID 122157256

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)ethyl]benzenesulfonamide (CID 54995967) is 4-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)ethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CCNC2=NCCS2)cc1.
What is the InChIKey of 4-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)ethyl]benzenesulfonamide?
The InChIKey is IWRLMOSSCHMWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S2/c12-18(15,16)10-3-1-9(2-4-10)5-6-13-11-14-7-8-17-11/h1-4H,5-8H2,(H,13,14)(H2,12,15,16).
What are the key properties of 4-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)ethyl]benzenesulfonamide?
4-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)ethyl]benzenesulfonamide has a molecular weight of 285.39 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 54995967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).