N-methyl-4-(2-propan-2-yl-1,3-thiazol-5-yl)benzenesulfonamide

C13H16N2O2S2 — CID 170687960

IUPACN-methyl-4-(2-propan-2-yl-1,3-thiazol-5-yl)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(-c2cnc(C(C)C)s2)cc1
InChIInChI=1S/C13H16N2O2S2/c1-9(2)13-15-8-12(18-13)10-4-6-11(7-5-10)19(16,17)14-3/h4-9,14H,1-3H3
InChIKeyJOZWQDAYGLWMQH-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.84
Rot. Bonds4

About N-methyl-4-(2-propan-2-yl-1,3-thiazol-5-yl)benzenesulfonamide

N-methyl-4-(2-propan-2-yl-1,3-thiazol-5-yl)benzenesulfonamide (PubChem CID 170687960) has the molecular formula C13H16N2O2S2 and a molecular weight of 296.42 g/mol. Its IUPAC name is N-methyl-4-(2-propan-2-yl-1,3-thiazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-(2-propan-2-yl-1,3-thiazol-5-yl)benzenesulfonamide
PubChem CID170687960
Molecular FormulaC13H16N2O2S2
Molecular Weight296.42 g/mol
Exact Mass296.07
IUPAC NameN-methyl-4-(2-propan-2-yl-1,3-thiazol-5-yl)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(-c2cnc(C(C)C)s2)cc1
InChIInChI=1S/C13H16N2O2S2/c1-9(2)13-15-8-12(18-13)10-4-6-11(7-5-10)19(16,17)14-3/h4-9,14H,1-3H3
InChIKeyJOZWQDAYGLWMQH-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-4-(2-propan-2-yl-1,3-thiazol-5-yl)benzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

5-(4-bromophenyl)-2-propan-2-yl-1,3-thiazole
CID 58910461
4-(2-amino-1,3-thiazol-5-yl)-N-pyrimidin-2-ylbenzenesulfonamide
CID 132521229
N-methyl-4-(2-methylpropylamino)benzenesulfonamide
CID 43453809
N-methyl-4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 134350753
4-butan-2-yl-N-methylbenzenesulfonamide
CID 19684297
N-methyl-4-(2-methylpropyl)benzenesulfonamide
CID 19684296
N-methyl-4-(methylamino)benzenesulfonamide
CID 15049669
N-methyl-4-(2-propan-2-yloxyethylamino)benzenesulfonamide
CID 104762386
2-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole
CID 54094069
N-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-(methylsulfamoyl)-N-propan-2-ylbenzamide
CID 47071534
N-[(3R)-1-[4-(2-propan-2-yl-1,3-thiazol-5-yl)benzoyl]pyrrolidin-3-yl]acetamide
CID 125442665
N-methyl-4-(2,3,3-trimethylbutylamino)benzenesulfonamide
CID 83144551

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-propan-2-yl-1,3-thiazol-5-yl)benzenesulfonamide?
The IUPAC name of N-methyl-4-(2-propan-2-yl-1,3-thiazol-5-yl)benzenesulfonamide (CID 170687960) is N-methyl-4-(2-propan-2-yl-1,3-thiazol-5-yl)benzenesulfonamide.
What is the SMILES notation for N-methyl-4-(2-propan-2-yl-1,3-thiazol-5-yl)benzenesulfonamide?
The canonical SMILES for N-methyl-4-(2-propan-2-yl-1,3-thiazol-5-yl)benzenesulfonamide is CNS(=O)(=O)c1ccc(-c2cnc(C(C)C)s2)cc1.
What is the InChIKey of N-methyl-4-(2-propan-2-yl-1,3-thiazol-5-yl)benzenesulfonamide?
The InChIKey is JOZWQDAYGLWMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S2/c1-9(2)13-15-8-12(18-13)10-4-6-11(7-5-10)19(16,17)14-3/h4-9,14H,1-3H3.
What are the key properties of N-methyl-4-(2-propan-2-yl-1,3-thiazol-5-yl)benzenesulfonamide?
N-methyl-4-(2-propan-2-yl-1,3-thiazol-5-yl)benzenesulfonamide has a molecular weight of 296.42 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2-propan-2-yl-1,3-thiazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 170687960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).