4-(methoxymethyl)-2-methyl-5-phenyl-4,5-dihydro-1,3-thiazole

C12H15NOS — CID 4611946

IUPAC4-(methoxymethyl)-2-methyl-5-phenyl-4,5-dihydro-1,3-thiazole
SMILESCOCC1N=C(C)SC1c1ccccc1
InChIInChI=1S/C12H15NOS/c1-9-13-11(8-14-2)12(15-9)10-6-4-3-5-7-10/h3-7,11-12H,8H2,1-2H3
InChIKeyNUIFTSNPCAMOPP-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.91
Rot. Bonds3

About 4-(methoxymethyl)-2-methyl-5-phenyl-4,5-dihydro-1,3-thiazole

4-(methoxymethyl)-2-methyl-5-phenyl-4,5-dihydro-1,3-thiazole (PubChem CID 4611946) has the molecular formula C12H15NOS and a molecular weight of 221.33 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-methyl-5-phenyl-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name4-(methoxymethyl)-2-methyl-5-phenyl-4,5-dihydro-1,3-thiazole
PubChem CID4611946
Molecular FormulaC12H15NOS
Molecular Weight221.33 g/mol
Exact Mass221.09
IUPAC Name4-(methoxymethyl)-2-methyl-5-phenyl-4,5-dihydro-1,3-thiazole
SMILESCOCC1N=C(C)SC1c1ccccc1
InChIInChI=1S/C12H15NOS/c1-9-13-11(8-14-2)12(15-9)10-6-4-3-5-7-10/h3-7,11-12H,8H2,1-2H3
InChIKeyNUIFTSNPCAMOPP-UHFFFAOYSA-N
XLogP2.91
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

AG-H-02521
CID 5325154
4-Benzyl-2-methyl-4,5-dihydro-1,3-oxazole
CID 4692621
(4S)-4-benzyl-2-ethyl-4,5-dihydro-1,3-oxazole
CID 12694682
4-Benzyl-2-methyl-4,5-dihydro-1,3-thiazole
CID 21607166
(R)-3-(3-fluoro-phenyl)-5-methylsulfanyl-3,6-dihydro-2H-[1,4]oxazine
CID 58200253
3-(3-fluorophenyl)-5-methylsulfanyl-3,6-dihydro-2H-1,4-oxazine
CID 67043371
(4S)-4-(4-fluorophenyl)-2-methylsulfanyl-4,5-dihydro-1,3-oxazole
CID 166717705
(4S)-4-(2-fluorophenyl)-2-methylsulfanyl-4,5-dihydro-1,3-oxazole
CID 169797769
N-[(2S)-1-methoxy-3-phenylpropan-2-yl]pentan-3-imine
CID 12696666
N-[(1R)-2-methoxy-1-phenylethyl]-3-methylsulfanylpropan-1-imine
CID 15232059
(4R)-4-methyl-2-[(E)-3-phenylprop-2-enyl]sulfanyl-4,5-dihydro-1,3-oxazole
CID 134854674
(4S)-4-benzyl-2-methyl-4,5-dihydro-1,3-thiazole
CID 10750247

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-methyl-5-phenyl-4,5-dihydro-1,3-thiazole?
The IUPAC name of 4-(methoxymethyl)-2-methyl-5-phenyl-4,5-dihydro-1,3-thiazole (CID 4611946) is 4-(methoxymethyl)-2-methyl-5-phenyl-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 4-(methoxymethyl)-2-methyl-5-phenyl-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 4-(methoxymethyl)-2-methyl-5-phenyl-4,5-dihydro-1,3-thiazole is COCC1N=C(C)SC1c1ccccc1.
What is the InChIKey of 4-(methoxymethyl)-2-methyl-5-phenyl-4,5-dihydro-1,3-thiazole?
The InChIKey is NUIFTSNPCAMOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS/c1-9-13-11(8-14-2)12(15-9)10-6-4-3-5-7-10/h3-7,11-12H,8H2,1-2H3.
What are the key properties of 4-(methoxymethyl)-2-methyl-5-phenyl-4,5-dihydro-1,3-thiazole?
4-(methoxymethyl)-2-methyl-5-phenyl-4,5-dihydro-1,3-thiazole has a molecular weight of 221.33 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-methyl-5-phenyl-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 4611946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).