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

C13H16N2O2S2 — CID 110446172

IUPACN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-phenylmethanesulfonamide
SMILESCc1nc(CNS(=O)(=O)Cc2ccccc2)sc1C
InChIInChI=1S/C13H16N2O2S2/c1-10-11(2)18-13(15-10)8-14-19(16,17)9-12-6-4-3-5-7-12/h3-7,14H,8-9H2,1-2H3
InChIKeyPNNAAVRNXZLQNU-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.38
Rot. Bonds5

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

N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-phenylmethanesulfonamide (PubChem CID 110446172) has the molecular formula C13H16N2O2S2 and a molecular weight of 296.42 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-phenylmethanesulfonamide
PubChem CID110446172
Molecular FormulaC13H16N2O2S2
Molecular Weight296.42 g/mol
Exact Mass296.07
IUPAC NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-phenylmethanesulfonamide
SMILESCc1nc(CNS(=O)(=O)Cc2ccccc2)sc1C
InChIInChI=1S/C13H16N2O2S2/c1-10-11(2)18-13(15-10)8-14-19(16,17)9-12-6-4-3-5-7-12/h3-7,14H,8-9H2,1-2H3
InChIKeyPNNAAVRNXZLQNU-UHFFFAOYSA-N
XLogP2.38
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-phenylmethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-phenylmethanesulfonamide (CID 110446172) is N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-phenylmethanesulfonamide is Cc1nc(CNS(=O)(=O)Cc2ccccc2)sc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-phenylmethanesulfonamide?
The InChIKey is PNNAAVRNXZLQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S2/c1-10-11(2)18-13(15-10)8-14-19(16,17)9-12-6-4-3-5-7-12/h3-7,14H,8-9H2,1-2H3.
What are the key properties of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-phenylmethanesulfonamide?
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-phenylmethanesulfonamide has a molecular weight of 296.42 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 110446172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).