3-[(4-ethyl-4-methyl-5H-1,3-thiazol-2-yl)amino]benzenesulfonamide

C12H17N3O2S2 — CID 64549640

IUPAC3-[(4-ethyl-4-methyl-5H-1,3-thiazol-2-yl)amino]benzenesulfonamide
SMILESCCC1(C)CSC(Nc2cccc(S(N)(=O)=O)c2)=N1
InChIInChI=1S/C12H17N3O2S2/c1-3-12(2)8-18-11(15-12)14-9-5-4-6-10(7-9)19(13,16)17/h4-7H,3,8H2,1-2H3,(H,14,15)(H2,13,16,17)
InChIKeySSBJLKBSKMGZIR-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.02
Rot. Bonds3

About 3-[(4-ethyl-4-methyl-5H-1,3-thiazol-2-yl)amino]benzenesulfonamide

3-[(4-ethyl-4-methyl-5H-1,3-thiazol-2-yl)amino]benzenesulfonamide (PubChem CID 64549640) has the molecular formula C12H17N3O2S2 and a molecular weight of 299.42 g/mol. Its IUPAC name is 3-[(4-ethyl-4-methyl-5H-1,3-thiazol-2-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name3-[(4-ethyl-4-methyl-5H-1,3-thiazol-2-yl)amino]benzenesulfonamide
PubChem CID64549640
Molecular FormulaC12H17N3O2S2
Molecular Weight299.42 g/mol
Exact Mass299.08
IUPAC Name3-[(4-ethyl-4-methyl-5H-1,3-thiazol-2-yl)amino]benzenesulfonamide
SMILESCCC1(C)CSC(Nc2cccc(S(N)(=O)=O)c2)=N1
InChIInChI=1S/C12H17N3O2S2/c1-3-12(2)8-18-11(15-12)14-9-5-4-6-10(7-9)19(13,16)17/h4-7H,3,8H2,1-2H3,(H,14,15)(H2,13,16,17)
InChIKeySSBJLKBSKMGZIR-UHFFFAOYSA-N
XLogP2.02
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-N-(3-iodophenyl)-4-methyl-5H-1,3-thiazol-2-amine
CID 64556048
N-(3-bromophenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
CID 64550890
4-ethyl-4-methyl-N-(4-methylsulfonylphenyl)-5H-1,3-thiazol-2-amine
CID 64550060
4-[(4-ethyl-4-methyl-5H-1,3-thiazol-2-yl)amino]benzamide
CID 64551710
4-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]benzenesulfonamide
CID 115361109
3-(2,2-dimethylpropylamino)benzenesulfonamide;methane
CID 159144655
3-[(5-methylpyrimidin-2-yl)amino]benzenesulfonamide
CID 153326122
3-(ethylsulfamoylamino)benzenesulfonamide
CID 114812411
3-[(5,5-dimethylthian-3-yl)amino]benzenesulfonamide
CID 79955506
3-ethyl-N-(3-sulfamoylphenyl)piperidine-3-carboxamide
CID 63132301
N,N-diethyl-3-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzenesulfonamide
CID 3529995
3-(1,3-benzothiazol-2-ylamino)benzenesulfonamide
CID 29067972

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethyl-4-methyl-5H-1,3-thiazol-2-yl)amino]benzenesulfonamide?
The IUPAC name of 3-[(4-ethyl-4-methyl-5H-1,3-thiazol-2-yl)amino]benzenesulfonamide (CID 64549640) is 3-[(4-ethyl-4-methyl-5H-1,3-thiazol-2-yl)amino]benzenesulfonamide.
What is the SMILES notation for 3-[(4-ethyl-4-methyl-5H-1,3-thiazol-2-yl)amino]benzenesulfonamide?
The canonical SMILES for 3-[(4-ethyl-4-methyl-5H-1,3-thiazol-2-yl)amino]benzenesulfonamide is CCC1(C)CSC(Nc2cccc(S(N)(=O)=O)c2)=N1.
What is the InChIKey of 3-[(4-ethyl-4-methyl-5H-1,3-thiazol-2-yl)amino]benzenesulfonamide?
The InChIKey is SSBJLKBSKMGZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S2/c1-3-12(2)8-18-11(15-12)14-9-5-4-6-10(7-9)19(13,16)17/h4-7H,3,8H2,1-2H3,(H,14,15)(H2,13,16,17).
What are the key properties of 3-[(4-ethyl-4-methyl-5H-1,3-thiazol-2-yl)amino]benzenesulfonamide?
3-[(4-ethyl-4-methyl-5H-1,3-thiazol-2-yl)amino]benzenesulfonamide has a molecular weight of 299.42 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethyl-4-methyl-5H-1,3-thiazol-2-yl)amino]benzenesulfonamide is sourced from PubChem (CID 64549640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).