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

C14H18N2O2S2 — CID 79786398

IUPACN-methyl-2-[2-(methylsulfonylmethyl)-4-phenyl-1,3-thiazol-5-yl]ethanamine
SMILESCNCCc1sc(CS(C)(=O)=O)nc1-c1ccccc1
InChIInChI=1S/C14H18N2O2S2/c1-15-9-8-12-14(11-6-4-3-5-7-11)16-13(19-12)10-20(2,17)18/h3-7,15H,8-10H2,1-2H3
InChIKeyMWDWMOREOJZCSB-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.12
Rot. Bonds6

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

N-methyl-2-[2-(methylsulfonylmethyl)-4-phenyl-1,3-thiazol-5-yl]ethanamine (PubChem CID 79786398) has the molecular formula C14H18N2O2S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is N-methyl-2-[2-(methylsulfonylmethyl)-4-phenyl-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[2-(methylsulfonylmethyl)-4-phenyl-1,3-thiazol-5-yl]ethanamine
PubChem CID79786398
Molecular FormulaC14H18N2O2S2
Molecular Weight310.44 g/mol
Exact Mass310.08
IUPAC NameN-methyl-2-[2-(methylsulfonylmethyl)-4-phenyl-1,3-thiazol-5-yl]ethanamine
SMILESCNCCc1sc(CS(C)(=O)=O)nc1-c1ccccc1
InChIInChI=1S/C14H18N2O2S2/c1-15-9-8-12-14(11-6-4-3-5-7-11)16-13(19-12)10-20(2,17)18/h3-7,15H,8-10H2,1-2H3
InChIKeyMWDWMOREOJZCSB-UHFFFAOYSA-N
XLogP2.12
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(methylsulfonylmethyl)-4-phenyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 81174504
2-[2-[(dimethylamino)methyl]-4-phenyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 79786314
2-[2-(tert-butylsulfanylmethyl)-4-phenyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 79782622
2-methyl-N-[2-(4-phenyl-2-propyl-1,3-thiazol-5-yl)ethyl]propan-2-amine
CID 79782920
2-[2-(furan-3-yl)-4-phenyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 79786485
1-[2-(methoxymethyl)-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 81174031
N-[2-[2-[(dimethylamino)methyl]-4-phenyl-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 79782807
2-[2-[cyclopropyl(methoxy)methyl]-4-phenyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 116730659
N-(2-methoxyethyl)-2-(4-phenyl-2-propyl-1,3-thiazol-5-yl)ethanamine
CID 79782932
N-methyl-1-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanamine
CID 81173465
N-methyl-1-[4-methyl-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]methanamine
CID 62472745
2-(methylsulfonylmethyl)-4-phenyl-1,3-thiazole
CID 66972700

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(methylsulfonylmethyl)-4-phenyl-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of N-methyl-2-[2-(methylsulfonylmethyl)-4-phenyl-1,3-thiazol-5-yl]ethanamine (CID 79786398) is N-methyl-2-[2-(methylsulfonylmethyl)-4-phenyl-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[2-(methylsulfonylmethyl)-4-phenyl-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for N-methyl-2-[2-(methylsulfonylmethyl)-4-phenyl-1,3-thiazol-5-yl]ethanamine is CNCCc1sc(CS(C)(=O)=O)nc1-c1ccccc1.
What is the InChIKey of N-methyl-2-[2-(methylsulfonylmethyl)-4-phenyl-1,3-thiazol-5-yl]ethanamine?
The InChIKey is MWDWMOREOJZCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S2/c1-15-9-8-12-14(11-6-4-3-5-7-11)16-13(19-12)10-20(2,17)18/h3-7,15H,8-10H2,1-2H3.
What are the key properties of N-methyl-2-[2-(methylsulfonylmethyl)-4-phenyl-1,3-thiazol-5-yl]ethanamine?
N-methyl-2-[2-(methylsulfonylmethyl)-4-phenyl-1,3-thiazol-5-yl]ethanamine has a molecular weight of 310.44 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(methylsulfonylmethyl)-4-phenyl-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 79786398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).