N-[(2-amino-1,3-thiazol-4-yl)methyl]-2,5-dimethylbenzenesulfonamide

C12H15N3O2S2 — CID 110718074

IUPACN-[(2-amino-1,3-thiazol-4-yl)methyl]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCc2csc(N)n2)c1
InChIInChI=1S/C12H15N3O2S2/c1-8-3-4-9(2)11(5-8)19(16,17)14-6-10-7-18-12(13)15-10/h3-5,7,14H,6H2,1-2H3,(H2,13,15)
InChIKeyMPMCIAYAJNEJJO-UHFFFAOYSA-N
MW297.41 g/mol
LogP1.82
Rot. Bonds4

About N-[(2-amino-1,3-thiazol-4-yl)methyl]-2,5-dimethylbenzenesulfonamide

N-[(2-amino-1,3-thiazol-4-yl)methyl]-2,5-dimethylbenzenesulfonamide (PubChem CID 110718074) has the molecular formula C12H15N3O2S2 and a molecular weight of 297.41 g/mol. Its IUPAC name is N-[(2-amino-1,3-thiazol-4-yl)methyl]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2-amino-1,3-thiazol-4-yl)methyl]-2,5-dimethylbenzenesulfonamide
PubChem CID110718074
Molecular FormulaC12H15N3O2S2
Molecular Weight297.41 g/mol
Exact Mass297.06
IUPAC NameN-[(2-amino-1,3-thiazol-4-yl)methyl]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCc2csc(N)n2)c1
InChIInChI=1S/C12H15N3O2S2/c1-8-3-4-9(2)11(5-8)19(16,17)14-6-10-7-18-12(13)15-10/h3-5,7,14H,6H2,1-2H3,(H2,13,15)
InChIKeyMPMCIAYAJNEJJO-UHFFFAOYSA-N
XLogP1.82
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 110718090
2,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 110738865
2,4,5-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 3238536
N-(2-amino-2-methylpropyl)-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 119988451
4-[(2,4,6-trimethylanilino)methyl]-1,3-thiazol-2-amine
CID 82480003
2-[(2,5-dimethylphenyl)sulfonylamino]acetamide
CID 9189431
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-(4-methylphenyl)methanesulfonamide
CID 110717936
N-[(2-amino-1,3-thiazol-4-yl)methyl]-4-ethoxybenzenesulfonamide
CID 110718117
5-amino-2-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 61282243
4-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfonyl]aniline
CID 81183565
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-chloro-4-methylbenzenesulfonamide
CID 110717932
1-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-2-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
CID 111932497

Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-1,3-thiazol-4-yl)methyl]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[(2-amino-1,3-thiazol-4-yl)methyl]-2,5-dimethylbenzenesulfonamide (CID 110718074) is N-[(2-amino-1,3-thiazol-4-yl)methyl]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[(2-amino-1,3-thiazol-4-yl)methyl]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[(2-amino-1,3-thiazol-4-yl)methyl]-2,5-dimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)NCc2csc(N)n2)c1.
What is the InChIKey of N-[(2-amino-1,3-thiazol-4-yl)methyl]-2,5-dimethylbenzenesulfonamide?
The InChIKey is MPMCIAYAJNEJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S2/c1-8-3-4-9(2)11(5-8)19(16,17)14-6-10-7-18-12(13)15-10/h3-5,7,14H,6H2,1-2H3,(H2,13,15).
What are the key properties of N-[(2-amino-1,3-thiazol-4-yl)methyl]-2,5-dimethylbenzenesulfonamide?
N-[(2-amino-1,3-thiazol-4-yl)methyl]-2,5-dimethylbenzenesulfonamide has a molecular weight of 297.41 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-1,3-thiazol-4-yl)methyl]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 110718074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).