N-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzenesulfonamide

C12H15N3O2S2 — CID 43742551

IUPACN-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NCc2csc(C)n2)cc1
InChIInChI=1S/C12H15N3O2S2/c1-9-15-11(8-18-9)7-14-10-3-5-12(6-4-10)19(16,17)13-2/h3-6,8,13-14H,7H2,1-2H3
InChIKeyURYVTBQYSXHFMF-UHFFFAOYSA-N
MW297.41 g/mol
LogP1.97
Rot. Bonds5

About N-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzenesulfonamide

N-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzenesulfonamide (PubChem CID 43742551) has the molecular formula C12H15N3O2S2 and a molecular weight of 297.41 g/mol. Its IUPAC name is N-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzenesulfonamide
PubChem CID43742551
Molecular FormulaC12H15N3O2S2
Molecular Weight297.41 g/mol
Exact Mass297.06
IUPAC NameN-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NCc2csc(C)n2)cc1
InChIInChI=1S/C12H15N3O2S2/c1-9-15-11(8-18-9)7-14-10-3-5-12(6-4-10)19(16,17)13-2/h3-6,8,13-14H,7H2,1-2H3
InChIKeyURYVTBQYSXHFMF-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

N-cyclopropyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzenesulfonamide
CID 61283817
4-amino-N-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzenesulfonamide
CID 82898098
[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]methanesulfonamide
CID 43745271
4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzoic acid
CID 43139161
N-ethyl-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenesulfonamide
CID 106048432
4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 7152309
N-methyl-4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 134350753
4-(bromomethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 65481025
N-[2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]methanesulfonamide
CID 43741273
4-butyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 30049651
4-[(4-chlorothiophen-2-yl)methylamino]-N-methylbenzenesulfonamide
CID 79420418
4-(2-methyl-1,3-oxazol-4-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 43704886

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzenesulfonamide?
The IUPAC name of N-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzenesulfonamide (CID 43742551) is N-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzenesulfonamide.
What is the SMILES notation for N-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzenesulfonamide?
The canonical SMILES for N-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzenesulfonamide is CNS(=O)(=O)c1ccc(NCc2csc(C)n2)cc1.
What is the InChIKey of N-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzenesulfonamide?
The InChIKey is URYVTBQYSXHFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S2/c1-9-15-11(8-18-9)7-14-10-3-5-12(6-4-10)19(16,17)13-2/h3-6,8,13-14H,7H2,1-2H3.
What are the key properties of N-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzenesulfonamide?
N-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]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 N-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzenesulfonamide is sourced from PubChem (CID 43742551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).