N-methyl-1-[4-methyl-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]methanamine

C8H14N2O2S2 — CID 62472745

IUPACN-methyl-1-[4-methyl-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]methanamine
SMILESCNCc1sc(CS(C)(=O)=O)nc1C
InChIInChI=1S/C8H14N2O2S2/c1-6-7(4-9-2)13-8(10-6)5-14(3,11)12/h9H,4-5H2,1-3H3
InChIKeyHSCYWZHHVCTSMF-UHFFFAOYSA-N
MW234.35 g/mol
LogP0.72
Rot. Bonds4

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

N-methyl-1-[4-methyl-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 62472745) has the molecular formula C8H14N2O2S2 and a molecular weight of 234.35 g/mol. Its IUPAC name is N-methyl-1-[4-methyl-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-methyl-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID62472745
Molecular FormulaC8H14N2O2S2
Molecular Weight234.35 g/mol
Exact Mass234.05
IUPAC NameN-methyl-1-[4-methyl-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]methanamine
SMILESCNCc1sc(CS(C)(=O)=O)nc1C
InChIInChI=1S/C8H14N2O2S2/c1-6-7(4-9-2)13-8(10-6)5-14(3,11)12/h9H,4-5H2,1-3H3
InChIKeyHSCYWZHHVCTSMF-UHFFFAOYSA-N
XLogP0.72
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-1-[4-methyl-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]methanamine 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-methyl-1-[4-methyl-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of N-methyl-1-[4-methyl-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]methanamine (CID 62472745) is N-methyl-1-[4-methyl-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[4-methyl-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[4-methyl-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]methanamine is CNCc1sc(CS(C)(=O)=O)nc1C.
What is the InChIKey of N-methyl-1-[4-methyl-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is HSCYWZHHVCTSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S2/c1-6-7(4-9-2)13-8(10-6)5-14(3,11)12/h9H,4-5H2,1-3H3.
What are the key properties of N-methyl-1-[4-methyl-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]methanamine?
N-methyl-1-[4-methyl-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 234.35 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-methyl-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 62472745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).