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

C12H15NOS — CID 91563809

IUPAC4-(1-methoxyethyl)-2-phenyl-4,5-dihydro-1,3-thiazole
SMILESCOC(C)C1CSC(c2ccccc2)=N1
InChIInChI=1S/C12H15NOS/c1-9(14-2)11-8-15-12(13-11)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3
InChIKeyRQAGGOLLMSZXAM-UHFFFAOYSA-N
MW221.32 g/mol
LogP2.58
Rot. Bonds3

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

4-(1-methoxyethyl)-2-phenyl-4,5-dihydro-1,3-thiazole (PubChem CID 91563809) has the molecular formula C12H15NOS and a molecular weight of 221.32 g/mol. Its IUPAC name is 4-(1-methoxyethyl)-2-phenyl-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name4-(1-methoxyethyl)-2-phenyl-4,5-dihydro-1,3-thiazole
PubChem CID91563809
Molecular FormulaC12H15NOS
Molecular Weight221.32 g/mol
Exact Mass221.09
IUPAC Name4-(1-methoxyethyl)-2-phenyl-4,5-dihydro-1,3-thiazole
SMILESCOC(C)C1CSC(c2ccccc2)=N1
InChIInChI=1S/C12H15NOS/c1-9(14-2)11-8-15-12(13-11)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3
InChIKeyRQAGGOLLMSZXAM-UHFFFAOYSA-N
XLogP2.58
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Thiazole, 4,5-dihydro-2-phenyl-
CID 200788
5-Methyl-2-phenyl-4,5-dihydro-1,3-thiazole
CID 211414
6H-1,3,5-Oxathiazine, 2-methyl-4-phenyl-
CID 3042018
[(4S,5S)-5-methyl-2-phenyl-4,5-dihydro-1,3-thiazol-4-yl]methanol
CID 145978113
Methyl (4R)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxylate
CID 12318800
Ethyl 2-(4-fluorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylate
CID 141260677
4-methyl-2-phenyl-4H-1,3-thiazol-5-one
CID 10943302
4-(2-methylsulfanylethyl)-2-phenyl-4H-1,3-thiazol-5-one
CID 11010427
2,6-dimethyl-4-phenyl-6H-1,3,5-oxathiazine
CID 14287769
2,6-ditert-butyl-4-phenyl-6H-1,3,5-oxathiazine
CID 85995654
ethyl (4R)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxylate
CID 11470364
Tert-butyl 2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxylate
CID 11579810

Frequently Asked Questions

What is the IUPAC name of 4-(1-methoxyethyl)-2-phenyl-4,5-dihydro-1,3-thiazole?
The IUPAC name of 4-(1-methoxyethyl)-2-phenyl-4,5-dihydro-1,3-thiazole (CID 91563809) is 4-(1-methoxyethyl)-2-phenyl-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 4-(1-methoxyethyl)-2-phenyl-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 4-(1-methoxyethyl)-2-phenyl-4,5-dihydro-1,3-thiazole is COC(C)C1CSC(c2ccccc2)=N1.
What is the InChIKey of 4-(1-methoxyethyl)-2-phenyl-4,5-dihydro-1,3-thiazole?
The InChIKey is RQAGGOLLMSZXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS/c1-9(14-2)11-8-15-12(13-11)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3.
What are the key properties of 4-(1-methoxyethyl)-2-phenyl-4,5-dihydro-1,3-thiazole?
4-(1-methoxyethyl)-2-phenyl-4,5-dihydro-1,3-thiazole has a molecular weight of 221.32 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methoxyethyl)-2-phenyl-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 91563809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).