N-[4-[(2-methyl-1,3-thiazol-5-yl)methylamino]phenyl]methanesulfonamide

C12H15N3O2S2 — CID 54868652

IUPACN-[4-[(2-methyl-1,3-thiazol-5-yl)methylamino]phenyl]methanesulfonamide
SMILESCc1ncc(CNc2ccc(NS(C)(=O)=O)cc2)s1
InChIInChI=1S/C12H15N3O2S2/c1-9-13-7-12(18-9)8-14-10-3-5-11(6-4-10)15-19(2,16)17/h3-7,14-15H,8H2,1-2H3
InChIKeyVYQYRMPJOYAFPB-UHFFFAOYSA-N
MW297.41 g/mol
LogP2.44
Rot. Bonds5

About N-[4-[(2-methyl-1,3-thiazol-5-yl)methylamino]phenyl]methanesulfonamide

N-[4-[(2-methyl-1,3-thiazol-5-yl)methylamino]phenyl]methanesulfonamide (PubChem CID 54868652) has the molecular formula C12H15N3O2S2 and a molecular weight of 297.41 g/mol. Its IUPAC name is N-[4-[(2-methyl-1,3-thiazol-5-yl)methylamino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[(2-methyl-1,3-thiazol-5-yl)methylamino]phenyl]methanesulfonamide
PubChem CID54868652
Molecular FormulaC12H15N3O2S2
Molecular Weight297.41 g/mol
Exact Mass297.06
IUPAC NameN-[4-[(2-methyl-1,3-thiazol-5-yl)methylamino]phenyl]methanesulfonamide
SMILESCc1ncc(CNc2ccc(NS(C)(=O)=O)cc2)s1
InChIInChI=1S/C12H15N3O2S2/c1-9-13-7-12(18-9)8-14-10-3-5-11(6-4-10)15-19(2,16)17/h3-7,14-15H,8H2,1-2H3
InChIKeyVYQYRMPJOYAFPB-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

4-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzoic acid
CID 60941885
N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanesulfonamide
CID 61384794
2-methyl-5-[[3-(sulfamoylamino)anilino]methyl]-1,3-thiazole
CID 54868489
N-cyclopropyl-N-methyl-4-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzenesulfonamide
CID 71997918
4-butan-2-yl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 54868716
N-[(2-methyl-1,3-thiazol-5-yl)methyl]naphthalen-2-amine
CID 60942096
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methylsulfonylaniline
CID 168579595
N-[4-[(2-methyl-1H-imidazol-5-yl)methylamino]phenyl]methanesulfonamide
CID 62741428
propan-2-yl 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzoate
CID 60941068
N-[2-chloro-4-[(2-ethyl-1,3-thiazol-5-yl)methylamino]phenyl]methanesulfonamide
CID 60981950
4-chloro-3-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60942118
4-bromo-3-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 103823395

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-methyl-1,3-thiazol-5-yl)methylamino]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[(2-methyl-1,3-thiazol-5-yl)methylamino]phenyl]methanesulfonamide (CID 54868652) is N-[4-[(2-methyl-1,3-thiazol-5-yl)methylamino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[(2-methyl-1,3-thiazol-5-yl)methylamino]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[(2-methyl-1,3-thiazol-5-yl)methylamino]phenyl]methanesulfonamide is Cc1ncc(CNc2ccc(NS(C)(=O)=O)cc2)s1.
What is the InChIKey of N-[4-[(2-methyl-1,3-thiazol-5-yl)methylamino]phenyl]methanesulfonamide?
The InChIKey is VYQYRMPJOYAFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S2/c1-9-13-7-12(18-9)8-14-10-3-5-11(6-4-10)15-19(2,16)17/h3-7,14-15H,8H2,1-2H3.
What are the key properties of N-[4-[(2-methyl-1,3-thiazol-5-yl)methylamino]phenyl]methanesulfonamide?
N-[4-[(2-methyl-1,3-thiazol-5-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-[(2-methyl-1,3-thiazol-5-yl)methylamino]phenyl]methanesulfonamide is sourced from PubChem (CID 54868652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).