2-methyl-3-[1-(1,3-thiazol-2-yl)ethylamino]benzenesulfonamide

C12H15N3O2S2 — CID 64993195

IUPAC2-methyl-3-[1-(1,3-thiazol-2-yl)ethylamino]benzenesulfonamide
SMILESCc1c(NC(C)c2nccs2)cccc1S(N)(=O)=O
InChIInChI=1S/C12H15N3O2S2/c1-8-10(4-3-5-11(8)19(13,16)17)15-9(2)12-14-6-7-18-12/h3-7,9,15H,1-2H3,(H2,13,16,17)
InChIKeyRZXCUBAJJLUYKI-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.27
Rot. Bonds4

About 2-methyl-3-[1-(1,3-thiazol-2-yl)ethylamino]benzenesulfonamide

2-methyl-3-[1-(1,3-thiazol-2-yl)ethylamino]benzenesulfonamide (PubChem CID 64993195) has the molecular formula C12H15N3O2S2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-methyl-3-[1-(1,3-thiazol-2-yl)ethylamino]benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-3-[1-(1,3-thiazol-2-yl)ethylamino]benzenesulfonamide
PubChem CID64993195
Molecular FormulaC12H15N3O2S2
Molecular Weight297.40 g/mol
Exact Mass297.06
IUPAC Name2-methyl-3-[1-(1,3-thiazol-2-yl)ethylamino]benzenesulfonamide
SMILESCc1c(NC(C)c2nccs2)cccc1S(N)(=O)=O
InChIInChI=1S/C12H15N3O2S2/c1-8-10(4-3-5-11(8)19(13,16)17)15-9(2)12-14-6-7-18-12/h3-7,9,15H,1-2H3,(H2,13,16,17)
InChIKeyRZXCUBAJJLUYKI-UHFFFAOYSA-N
XLogP2.27
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 115928704
N-[2-methyl-3-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]propanamide
CID 64993033
2-[2-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]acetamide
CID 64993085
2-fluoro-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]aniline
CID 96824348
2-nitro-3-N-[1-(1,3-thiazol-2-yl)ethyl]benzene-1,3-diamine
CID 80843953
2-[1-(sulfamoylamino)ethyl]-1,3-thiazole
CID 112689953
3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-methylbenzenesulfonamide
CID 60933451
2-nitro-N-[1-(1,3-thiazol-2-yl)ethyl]pyridin-3-amine
CID 112689948
2,5-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64988089
4-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyridin-3-amine
CID 96824409
N-[1-(1,3-thiazol-2-yl)ethyl]-1H-indazol-4-amine
CID 64992997
2-(ethoxymethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64993290

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[1-(1,3-thiazol-2-yl)ethylamino]benzenesulfonamide?
The IUPAC name of 2-methyl-3-[1-(1,3-thiazol-2-yl)ethylamino]benzenesulfonamide (CID 64993195) is 2-methyl-3-[1-(1,3-thiazol-2-yl)ethylamino]benzenesulfonamide.
What is the SMILES notation for 2-methyl-3-[1-(1,3-thiazol-2-yl)ethylamino]benzenesulfonamide?
The canonical SMILES for 2-methyl-3-[1-(1,3-thiazol-2-yl)ethylamino]benzenesulfonamide is Cc1c(NC(C)c2nccs2)cccc1S(N)(=O)=O.
What is the InChIKey of 2-methyl-3-[1-(1,3-thiazol-2-yl)ethylamino]benzenesulfonamide?
The InChIKey is RZXCUBAJJLUYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S2/c1-8-10(4-3-5-11(8)19(13,16)17)15-9(2)12-14-6-7-18-12/h3-7,9,15H,1-2H3,(H2,13,16,17).
What are the key properties of 2-methyl-3-[1-(1,3-thiazol-2-yl)ethylamino]benzenesulfonamide?
2-methyl-3-[1-(1,3-thiazol-2-yl)ethylamino]benzenesulfonamide has a molecular weight of 297.40 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[1-(1,3-thiazol-2-yl)ethylamino]benzenesulfonamide is sourced from PubChem (CID 64993195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).