4-(methylaminomethyl)-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide

C12H15N3O2S2 — CID 54922138

IUPAC4-(methylaminomethyl)-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)Nc2ncc(C)s2)cc1
InChIInChI=1S/C12H15N3O2S2/c1-9-7-14-12(18-9)15-19(16,17)11-5-3-10(4-6-11)8-13-2/h3-7,13H,8H2,1-2H3,(H,14,15)
InChIKeyNUBTVONOPXUJNX-UHFFFAOYSA-N
MW297.41 g/mol
LogP1.97
Rot. Bonds5

About 4-(methylaminomethyl)-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide

4-(methylaminomethyl)-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 54922138) has the molecular formula C12H15N3O2S2 and a molecular weight of 297.41 g/mol. Its IUPAC name is 4-(methylaminomethyl)-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(methylaminomethyl)-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID54922138
Molecular FormulaC12H15N3O2S2
Molecular Weight297.41 g/mol
Exact Mass297.06
IUPAC Name4-(methylaminomethyl)-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)Nc2ncc(C)s2)cc1
InChIInChI=1S/C12H15N3O2S2/c1-9-7-14-12(18-9)15-19(16,17)11-5-3-10(4-6-11)8-13-2/h3-7,13H,8H2,1-2H3,(H,14,15)
InChIKeyNUBTVONOPXUJNX-UHFFFAOYSA-N
XLogP1.97
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(methylamino)ethyl]-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 106061084
4-(ethylaminomethyl)-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 60822034
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-(methylaminomethyl)benzenesulfonamide
CID 61477638
6-amino-N-(5-methyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide
CID 62145030
N-(5-methyl-1,3-thiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 35523329
4-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]benzenecarbothioamide
CID 29052014
4-(methylaminomethyl)-N-(thiatriazol-5-yl)benzenesulfonamide
CID 114912960
4-cyano-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 106919709
2,5-dimethyl-4-(methylaminomethyl)-N-(5-methyl-1,3-thiazol-2-yl)furan-3-sulfonamide
CID 106061031
N-(5-bromo-1,3-thiazol-2-yl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 60823723
3-(aminomethyl)-4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 106060889
4-(methylaminomethyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
CID 61480734

Frequently Asked Questions

What is the IUPAC name of 4-(methylaminomethyl)-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-(methylaminomethyl)-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide (CID 54922138) is 4-(methylaminomethyl)-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(methylaminomethyl)-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(methylaminomethyl)-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide is CNCc1ccc(S(=O)(=O)Nc2ncc(C)s2)cc1.
What is the InChIKey of 4-(methylaminomethyl)-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is NUBTVONOPXUJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S2/c1-9-7-14-12(18-9)15-19(16,17)11-5-3-10(4-6-11)8-13-2/h3-7,13H,8H2,1-2H3,(H,14,15).
What are the key properties of 4-(methylaminomethyl)-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
4-(methylaminomethyl)-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 297.41 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminomethyl)-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 54922138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).