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

C13H17N3O2S2 — CID 43741273

IUPACN-[2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]methanesulfonamide
SMILESCc1nc(CNc2ccc(NS(C)(=O)=O)c(C)c2)cs1
InChIInChI=1S/C13H17N3O2S2/c1-9-6-11(4-5-13(9)16-20(3,17)18)14-7-12-8-19-10(2)15-12/h4-6,8,14,16H,7H2,1-3H3
InChIKeyGFXNDBSYZNBCFP-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.74
Rot. Bonds5

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

N-[2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]methanesulfonamide (PubChem CID 43741273) has the molecular formula C13H17N3O2S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]methanesulfonamide
PubChem CID43741273
Molecular FormulaC13H17N3O2S2
Molecular Weight311.43 g/mol
Exact Mass311.08
IUPAC NameN-[2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]methanesulfonamide
SMILESCc1nc(CNc2ccc(NS(C)(=O)=O)c(C)c2)cs1
InChIInChI=1S/C13H17N3O2S2/c1-9-6-11(4-5-13(9)16-20(3,17)18)14-7-12-8-19-10(2)15-12/h4-6,8,14,16H,7H2,1-3H3
InChIKeyGFXNDBSYZNBCFP-UHFFFAOYSA-N
XLogP2.74
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzenesulfonamide
CID 43742551
[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]methanesulfonamide
CID 43745271
N-[4-(butylamino)-2-methylphenyl]methanesulfonamide
CID 43741283
N-[2-methyl-4-(prop-2-ynylamino)phenyl]methanesulfonamide
CID 63953895
3-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzoic acid
CID 43736143
N-[2-fluoro-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]acetamide
CID 54862658
N-[4-[2-(tert-butylamino)ethylamino]-2-methylphenyl]methanesulfonamide
CID 107445229
4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzoic acid
CID 43139161
2-fluoro-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzoic acid
CID 115485203
N-[4-[(1-ethylpyrrol-3-yl)methylamino]-2-methylphenyl]methanesulfonamide
CID 66415349
2-chloro-1-N,1-N-dimethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzene-1,4-diamine
CID 54865262
N-cyclopropyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzenesulfonamide
CID 61283817

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]methanesulfonamide?
The IUPAC name of N-[2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]methanesulfonamide (CID 43741273) is N-[2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]methanesulfonamide is Cc1nc(CNc2ccc(NS(C)(=O)=O)c(C)c2)cs1.
What is the InChIKey of N-[2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]methanesulfonamide?
The InChIKey is GFXNDBSYZNBCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S2/c1-9-6-11(4-5-13(9)16-20(3,17)18)14-7-12-8-19-10(2)15-12/h4-6,8,14,16H,7H2,1-3H3.
What are the key properties of N-[2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]methanesulfonamide?
N-[2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]methanesulfonamide has a molecular weight of 311.43 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]methanesulfonamide is sourced from PubChem (CID 43741273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).