4-[[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]benzenesulfonamide

C13H17N3O2S2 — CID 43760215

IUPAC4-[[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]benzenesulfonamide
SMILESCc1ncsc1C(C)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H17N3O2S2/c1-9(13-10(2)16-8-19-13)15-7-11-3-5-12(6-4-11)20(14,17)18/h3-6,8-9,15H,7H2,1-2H3,(H2,14,17,18)
InChIKeyUBPOEDUIKXCEQI-UHFFFAOYSA-N
MW311.43 g/mol
LogP1.95
Rot. Bonds5

About 4-[[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]benzenesulfonamide

4-[[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]benzenesulfonamide (PubChem CID 43760215) has the molecular formula C13H17N3O2S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 4-[[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]benzenesulfonamide
PubChem CID43760215
Molecular FormulaC13H17N3O2S2
Molecular Weight311.43 g/mol
Exact Mass311.08
IUPAC Name4-[[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]benzenesulfonamide
SMILESCc1ncsc1C(C)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H17N3O2S2/c1-9(13-10(2)16-8-19-13)15-7-11-3-5-12(6-4-11)20(14,17)18/h3-6,8-9,15H,7H2,1-2H3,(H2,14,17,18)
InChIKeyUBPOEDUIKXCEQI-UHFFFAOYSA-N
XLogP1.95
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1-pyridin-2-ylethylamino)methyl]benzenesulfonamide
CID 43192891
N'-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 62634392
4-[1-[(4-bromophenyl)methylamino]ethyl]benzenesulfonamide
CID 43426311
N-methyl-2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]ethanesulfonamide
CID 102676143
2-methyl-2-methylsulfonyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 79558911
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-methylsulfonylphenyl)methyl]ethanamine
CID 61069028
4-[(1,1-difluoropropan-2-ylamino)methyl]benzenesulfonamide
CID 102867736
4-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]benzenesulfonamide
CID 43760203
N-[(1-methylpyrazol-3-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 80528686
2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]ethyl carbamate
CID 83202234
4-[[1-(3-bromophenyl)ethylamino]methyl]benzenesulfonamide
CID 43096431
4-[[1-(3-chlorophenyl)ethylamino]methyl]benzenesulfonamide
CID 43093327

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]benzenesulfonamide?
The IUPAC name of 4-[[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]benzenesulfonamide (CID 43760215) is 4-[[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]benzenesulfonamide is Cc1ncsc1C(C)NCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]benzenesulfonamide?
The InChIKey is UBPOEDUIKXCEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S2/c1-9(13-10(2)16-8-19-13)15-7-11-3-5-12(6-4-11)20(14,17)18/h3-6,8-9,15H,7H2,1-2H3,(H2,14,17,18).
What are the key properties of 4-[[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]benzenesulfonamide?
4-[[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]benzenesulfonamide has a molecular weight of 311.43 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]benzenesulfonamide is sourced from PubChem (CID 43760215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).