N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methylbenzenesulfonamide

C13H16N2O2S2 — CID 121122925

IUPACN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2sc(C)nc2C)cc1
InChIInChI=1S/C13H16N2O2S2/c1-9-4-6-12(7-5-9)19(16,17)14-8-13-10(2)15-11(3)18-13/h4-7,14H,8H2,1-3H3
InChIKeySVYYZNGWHCDALU-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.55
Rot. Bonds4

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

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methylbenzenesulfonamide (PubChem CID 121122925) has the molecular formula C13H16N2O2S2 and a molecular weight of 296.42 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methylbenzenesulfonamide
PubChem CID121122925
Molecular FormulaC13H16N2O2S2
Molecular Weight296.42 g/mol
Exact Mass296.07
IUPAC NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2sc(C)nc2C)cc1
InChIInChI=1S/C13H16N2O2S2/c1-9-4-6-12(7-5-9)19(16,17)14-8-13-10(2)15-11(3)18-13/h4-7,14H,8H2,1-3H3
InChIKeySVYYZNGWHCDALU-UHFFFAOYSA-N
XLogP2.55
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-iodobenzenesulfonamide
CID 121122948
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-ethylbenzenesulfonamide
CID 121122937
N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-4-phenylbenzenesulfonamide
CID 121121722
4-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]benzenesulfonamide
CID 110870208
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylquinoline-8-sulfonamide
CID 121122988
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-ethoxybenzenesulfonamide
CID 121122995
4-bromo-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzenesulfonamide
CID 121121916
3,4-dichloro-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide
CID 110395152
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2,5-dimethylpyrrol-1-amine
CID 79100787
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-4-methoxybenzenesulfonamide
CID 121123362
N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-4-propylbenzenesulfonamide
CID 121121976
4-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 110728120

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methylbenzenesulfonamide (CID 121122925) is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2sc(C)nc2C)cc1.
What is the InChIKey of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methylbenzenesulfonamide?
The InChIKey is SVYYZNGWHCDALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S2/c1-9-4-6-12(7-5-9)19(16,17)14-8-13-10(2)15-11(3)18-13/h4-7,14H,8H2,1-3H3.
What are the key properties of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methylbenzenesulfonamide?
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methylbenzenesulfonamide has a molecular weight of 296.42 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 121122925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).