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

C14H18N2O2S2 — CID 81174504

IUPACN-[[2-(methylsulfonylmethyl)-4-phenyl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(CS(C)(=O)=O)nc1-c1ccccc1
InChIInChI=1S/C14H18N2O2S2/c1-3-15-9-12-14(11-7-5-4-6-8-11)16-13(19-12)10-20(2,17)18/h4-8,15H,3,9-10H2,1-2H3
InChIKeyGWKMWBKTWCUYCO-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.46
Rot. Bonds6

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

N-[[2-(methylsulfonylmethyl)-4-phenyl-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 81174504) has the molecular formula C14H18N2O2S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is N-[[2-(methylsulfonylmethyl)-4-phenyl-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(methylsulfonylmethyl)-4-phenyl-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID81174504
Molecular FormulaC14H18N2O2S2
Molecular Weight310.44 g/mol
Exact Mass310.08
IUPAC NameN-[[2-(methylsulfonylmethyl)-4-phenyl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(CS(C)(=O)=O)nc1-c1ccccc1
InChIInChI=1S/C14H18N2O2S2/c1-3-15-9-12-14(11-7-5-4-6-8-11)16-13(19-12)10-20(2,17)18/h4-8,15H,3,9-10H2,1-2H3
InChIKeyGWKMWBKTWCUYCO-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-[2-(methylsulfonylmethyl)-4-phenyl-1,3-thiazol-5-yl]ethanamine
CID 79786398
N-[[2-(methylsulfonylmethyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 113497294
N-[(4,5-diphenyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 62543017
N-[[2-(ethoxymethyl)-4-phenyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 81178540
4-phenyl-2-(sulfamoylmethyl)-1,3-thiazole-5-carboxylic acid
CID 113390002
1-[2-(methoxymethyl)-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 81174031
4-phenyl-2-propyl-1,3-thiazole-5-carboxylic acid
CID 79015048
N-[[2-(methylsulfonylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82434472
N-[[2-(oxan-3-yl)-4-phenyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 81177510
5-ethyl-4-phenyl-1,3-thiazole-2-carboxylic acid
CID 67425132
2-(methylsulfonylmethyl)-4-phenyl-1,3-thiazole
CID 66972700
N-[[4-(4-fluorophenyl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 83959736

Frequently Asked Questions

What is the IUPAC name of N-[[2-(methylsulfonylmethyl)-4-phenyl-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(methylsulfonylmethyl)-4-phenyl-1,3-thiazol-5-yl]methyl]ethanamine (CID 81174504) is N-[[2-(methylsulfonylmethyl)-4-phenyl-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(methylsulfonylmethyl)-4-phenyl-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(methylsulfonylmethyl)-4-phenyl-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1sc(CS(C)(=O)=O)nc1-c1ccccc1.
What is the InChIKey of N-[[2-(methylsulfonylmethyl)-4-phenyl-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is GWKMWBKTWCUYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S2/c1-3-15-9-12-14(11-7-5-4-6-8-11)16-13(19-12)10-20(2,17)18/h4-8,15H,3,9-10H2,1-2H3.
What are the key properties of N-[[2-(methylsulfonylmethyl)-4-phenyl-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[2-(methylsulfonylmethyl)-4-phenyl-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 310.44 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methylsulfonylmethyl)-4-phenyl-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 81174504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).