4-methyl-5-[2-[(E)-3-phenylprop-2-enoxy]ethyl]-1,3-thiazole

C15H17NOS — CID 21299291

IUPAC4-methyl-5-[2-[(E)-3-phenylprop-2-enoxy]ethyl]-1,3-thiazole
SMILESCc1ncsc1CCOC/C=C/c1ccccc1
InChIInChI=1S/C15H17NOS/c1-13-15(18-12-16-13)9-11-17-10-5-8-14-6-3-2-4-7-14/h2-8,12H,9-11H2,1H3/b8-5+
InChIKeyDRYLFNRCXXKVMX-VMPITWQZSA-N
MW259.37 g/mol
LogP3.72
Rot. Bonds6

About 4-methyl-5-[2-[(E)-3-phenylprop-2-enoxy]ethyl]-1,3-thiazole

4-methyl-5-[2-[(E)-3-phenylprop-2-enoxy]ethyl]-1,3-thiazole (PubChem CID 21299291) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is 4-methyl-5-[2-[(E)-3-phenylprop-2-enoxy]ethyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-[2-[(E)-3-phenylprop-2-enoxy]ethyl]-1,3-thiazole
PubChem CID21299291
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name4-methyl-5-[2-[(E)-3-phenylprop-2-enoxy]ethyl]-1,3-thiazole
SMILESCc1ncsc1CCOC/C=C/c1ccccc1
InChIInChI=1S/C15H17NOS/c1-13-15(18-12-16-13)9-11-17-10-5-8-14-6-3-2-4-7-14/h2-8,12H,9-11H2,1H3/b8-5+
InChIKeyDRYLFNRCXXKVMX-VMPITWQZSA-N
XLogP3.72
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]but-2-enoic acid
CID 76940783
4-methyl-5-[2-(2-phenylsulfanylethoxy)ethyl]-1,3-thiazole
CID 79403461
4-methyl-5-[2-[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]hexoxy]ethyl]-1,3-thiazole
CID 11474127
2-[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethoxy]benzoic acid
CID 43532271
3-[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]phenyl]prop-2-enoic acid
CID 76908882
2-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propoxy]aniline
CID 43174424
2-[(Z)-3-phenylprop-2-enoxy]ethanol
CID 11679907
O-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hydroxylamine
CID 11228942
3-(2-bromoethoxy)prop-1-enylbenzene
CID 72731799
3-nonoxyprop-1-enylbenzene
CID 91487084
3-henicosoxyprop-1-enylbenzene
CID 139660432
4-methyl-5-(2-quinolin-3-yloxyethyl)-1,3-thiazole
CID 102847058

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[2-[(E)-3-phenylprop-2-enoxy]ethyl]-1,3-thiazole?
The IUPAC name of 4-methyl-5-[2-[(E)-3-phenylprop-2-enoxy]ethyl]-1,3-thiazole (CID 21299291) is 4-methyl-5-[2-[(E)-3-phenylprop-2-enoxy]ethyl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-5-[2-[(E)-3-phenylprop-2-enoxy]ethyl]-1,3-thiazole?
The canonical SMILES for 4-methyl-5-[2-[(E)-3-phenylprop-2-enoxy]ethyl]-1,3-thiazole is Cc1ncsc1CCOC/C=C/c1ccccc1.
What is the InChIKey of 4-methyl-5-[2-[(E)-3-phenylprop-2-enoxy]ethyl]-1,3-thiazole?
The InChIKey is DRYLFNRCXXKVMX-VMPITWQZSA-N. The full InChI is InChI=1S/C15H17NOS/c1-13-15(18-12-16-13)9-11-17-10-5-8-14-6-3-2-4-7-14/h2-8,12H,9-11H2,1H3/b8-5+.
What are the key properties of 4-methyl-5-[2-[(E)-3-phenylprop-2-enoxy]ethyl]-1,3-thiazole?
4-methyl-5-[2-[(E)-3-phenylprop-2-enoxy]ethyl]-1,3-thiazole has a molecular weight of 259.37 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[2-[(E)-3-phenylprop-2-enoxy]ethyl]-1,3-thiazole is sourced from PubChem (CID 21299291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).