4-[2-(methylamino)-2-phenylethyl]-3H-1,3-thiazol-2-one

C12H14N2OS — CID 81462911

IUPAC4-[2-(methylamino)-2-phenylethyl]-3H-1,3-thiazol-2-one
SMILESCNC(Cc1csc(=O)[nH]1)c1ccccc1
InChIInChI=1S/C12H14N2OS/c1-13-11(9-5-3-2-4-6-9)7-10-8-16-12(15)14-10/h2-6,8,11,13H,7H2,1H3,(H,14,15)
InChIKeyQKFBMYKRSUPIFJ-UHFFFAOYSA-N
MW234.32 g/mol
LogP1.94
Rot. Bonds4

About 4-[2-(methylamino)-2-phenylethyl]-3H-1,3-thiazol-2-one

4-[2-(methylamino)-2-phenylethyl]-3H-1,3-thiazol-2-one (PubChem CID 81462911) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 4-[2-(methylamino)-2-phenylethyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[2-(methylamino)-2-phenylethyl]-3H-1,3-thiazol-2-one
PubChem CID81462911
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name4-[2-(methylamino)-2-phenylethyl]-3H-1,3-thiazol-2-one
SMILESCNC(Cc1csc(=O)[nH]1)c1ccccc1
InChIInChI=1S/C12H14N2OS/c1-13-11(9-5-3-2-4-6-9)7-10-8-16-12(15)14-10/h2-6,8,11,13H,7H2,1H3,(H,14,15)
InChIKeyQKFBMYKRSUPIFJ-UHFFFAOYSA-N
XLogP1.94
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-phenyl-2-(propylamino)ethyl]-3H-1,3-thiazol-2-one
CID 81462998
4-[(1-phenylbutylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380017
2-(2-bromophenyl)-N-methyl-1-phenylethanamine
CID 60820242
2-fluoro-N-methyl-1-phenylethanamine
CID 83815397
2-[2-(4-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-methyl-1-phenylethanamine
CID 79422016
2-[2-(3-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-methyl-1-phenylethanamine
CID 115381091
2-[2-(1-methoxybutyl)-1,3-thiazol-4-yl]-N-methyl-1-phenylethanamine
CID 116727740
N-methyl-2-[2-(3-methylcyclopentyl)-1,3-thiazol-4-yl]-1-phenylethanamine
CID 65414615
2-(4-iodophenyl)-N-methyl-1-phenylethanamine
CID 65479327
N-methyl-2-(4-methylsulfonylphenyl)-1-phenylethanamine
CID 63199908
2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-phenylethanamine
CID 65168981
N-methyl-2-[2-(1,4-oxathian-2-yl)-1,3-thiazol-4-yl]-1-phenylethanamine
CID 79959332

Frequently Asked Questions

What is the IUPAC name of 4-[2-(methylamino)-2-phenylethyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[2-(methylamino)-2-phenylethyl]-3H-1,3-thiazol-2-one (CID 81462911) is 4-[2-(methylamino)-2-phenylethyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[2-(methylamino)-2-phenylethyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[2-(methylamino)-2-phenylethyl]-3H-1,3-thiazol-2-one is CNC(Cc1csc(=O)[nH]1)c1ccccc1.
What is the InChIKey of 4-[2-(methylamino)-2-phenylethyl]-3H-1,3-thiazol-2-one?
The InChIKey is QKFBMYKRSUPIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-13-11(9-5-3-2-4-6-9)7-10-8-16-12(15)14-10/h2-6,8,11,13H,7H2,1H3,(H,14,15).
What are the key properties of 4-[2-(methylamino)-2-phenylethyl]-3H-1,3-thiazol-2-one?
4-[2-(methylamino)-2-phenylethyl]-3H-1,3-thiazol-2-one has a molecular weight of 234.32 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methylamino)-2-phenylethyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 81462911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).