N-(2-methyl-2-methylsulfonylpropyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine

C14H20N2O2S2 — CID 79561529

IUPACN-(2-methyl-2-methylsulfonylpropyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)(CNC1=NCC(c2ccccc2)S1)S(C)(=O)=O
InChIInChI=1S/C14H20N2O2S2/c1-14(2,20(3,17)18)10-16-13-15-9-12(19-13)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,15,16)
InChIKeyGRQRDACWOONUHI-UHFFFAOYSA-N
MW312.46 g/mol
LogP2.24
Rot. Bonds4

About N-(2-methyl-2-methylsulfonylpropyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine

N-(2-methyl-2-methylsulfonylpropyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 79561529) has the molecular formula C14H20N2O2S2 and a molecular weight of 312.46 g/mol. Its IUPAC name is N-(2-methyl-2-methylsulfonylpropyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-methyl-2-methylsulfonylpropyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID79561529
Molecular FormulaC14H20N2O2S2
Molecular Weight312.46 g/mol
Exact Mass312.10
IUPAC NameN-(2-methyl-2-methylsulfonylpropyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)(CNC1=NCC(c2ccccc2)S1)S(C)(=O)=O
InChIInChI=1S/C14H20N2O2S2/c1-14(2,20(3,17)18)10-16-13-15-9-12(19-13)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,15,16)
InChIKeyGRQRDACWOONUHI-UHFFFAOYSA-N
XLogP2.24
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-methyl-2-methylsulfonylpropyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine 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-(2-methyl-2-methylsulfonylpropyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(2-methyl-2-methylsulfonylpropyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine (CID 79561529) is N-(2-methyl-2-methylsulfonylpropyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-methyl-2-methylsulfonylpropyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-methyl-2-methylsulfonylpropyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine is CC(C)(CNC1=NCC(c2ccccc2)S1)S(C)(=O)=O.
What is the InChIKey of N-(2-methyl-2-methylsulfonylpropyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is GRQRDACWOONUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S2/c1-14(2,20(3,17)18)10-16-13-15-9-12(19-13)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,15,16).
What are the key properties of N-(2-methyl-2-methylsulfonylpropyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
N-(2-methyl-2-methylsulfonylpropyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 312.46 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-methylsulfonylpropyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 79561529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).