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

C12H15N3O2S2 — CID 115743550

IUPACN-[4-[(4-methyl-1,3-thiazol-2-yl)methylamino]phenyl]methanesulfonamide
SMILESCc1csc(CNc2ccc(NS(C)(=O)=O)cc2)n1
InChIInChI=1S/C12H15N3O2S2/c1-9-8-18-12(14-9)7-13-10-3-5-11(6-4-10)15-19(2,16)17/h3-6,8,13,15H,7H2,1-2H3
InChIKeyXEVKHGBTKBXAIC-UHFFFAOYSA-N
MW297.41 g/mol
LogP2.44
Rot. Bonds5

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

N-[4-[(4-methyl-1,3-thiazol-2-yl)methylamino]phenyl]methanesulfonamide (PubChem CID 115743550) has the molecular formula C12H15N3O2S2 and a molecular weight of 297.41 g/mol. Its IUPAC name is N-[4-[(4-methyl-1,3-thiazol-2-yl)methylamino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[(4-methyl-1,3-thiazol-2-yl)methylamino]phenyl]methanesulfonamide
PubChem CID115743550
Molecular FormulaC12H15N3O2S2
Molecular Weight297.41 g/mol
Exact Mass297.06
IUPAC NameN-[4-[(4-methyl-1,3-thiazol-2-yl)methylamino]phenyl]methanesulfonamide
SMILESCc1csc(CNc2ccc(NS(C)(=O)=O)cc2)n1
InChIInChI=1S/C12H15N3O2S2/c1-9-8-18-12(14-9)7-13-10-3-5-11(6-4-10)15-19(2,16)17/h3-6,8,13,15H,7H2,1-2H3
InChIKeyXEVKHGBTKBXAIC-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide
CID 104769743
3,4-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
CID 78992547
4-ethoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
CID 78992505
N,N-dimethyl-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide
CID 115687991
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-pentylaniline
CID 104769646
N,N-dimethyl-2-[4-[(4-methyl-1,3-thiazol-2-yl)methylamino]phenyl]acetamide
CID 115633702
N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridin-3-amine
CID 82539208
2-N,2-N-dimethyl-5-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-2,5-diamine
CID 115748558
4-[2-(dimethylamino)ethoxy]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
CID 82539184
4-cyclopentyloxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
CID 115688032
3-bromo-4-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
CID 115688112
1-(2-chloro-6-methylsulfonylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 83170912

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methyl-1,3-thiazol-2-yl)methylamino]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[(4-methyl-1,3-thiazol-2-yl)methylamino]phenyl]methanesulfonamide (CID 115743550) is N-[4-[(4-methyl-1,3-thiazol-2-yl)methylamino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[(4-methyl-1,3-thiazol-2-yl)methylamino]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[(4-methyl-1,3-thiazol-2-yl)methylamino]phenyl]methanesulfonamide is Cc1csc(CNc2ccc(NS(C)(=O)=O)cc2)n1.
What is the InChIKey of N-[4-[(4-methyl-1,3-thiazol-2-yl)methylamino]phenyl]methanesulfonamide?
The InChIKey is XEVKHGBTKBXAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S2/c1-9-8-18-12(14-9)7-13-10-3-5-11(6-4-10)15-19(2,16)17/h3-6,8,13,15H,7H2,1-2H3.
What are the key properties of N-[4-[(4-methyl-1,3-thiazol-2-yl)methylamino]phenyl]methanesulfonamide?
N-[4-[(4-methyl-1,3-thiazol-2-yl)methylamino]phenyl]methanesulfonamide has a molecular weight of 297.41 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methyl-1,3-thiazol-2-yl)methylamino]phenyl]methanesulfonamide is sourced from PubChem (CID 115743550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).