2-ethyl-4-[(E)-2-[3-(methoxymethoxy)-1-phenylpyrazol-4-yl]ethenyl]-5-methyl-1,3-thiazole

C19H21N3O2S — CID 23076484

IUPAC2-ethyl-4-[(E)-2-[3-(methoxymethoxy)-1-phenylpyrazol-4-yl]ethenyl]-5-methyl-1,3-thiazole
SMILESCCc1nc(/C=C/c2cn(-c3ccccc3)nc2OCOC)c(C)s1
InChIInChI=1S/C19H21N3O2S/c1-4-18-20-17(14(2)25-18)11-10-15-12-22(16-8-6-5-7-9-16)21-19(15)24-13-23-3/h5-12H,4,13H2,1-3H3/b11-10+
InChIKeyLCXAOGCKRAGLKS-ZHACJKMWSA-N
MW355.46 g/mol
LogP4.35
Rot. Bonds7

About 2-ethyl-4-[(E)-2-[3-(methoxymethoxy)-1-phenylpyrazol-4-yl]ethenyl]-5-methyl-1,3-thiazole

2-ethyl-4-[(E)-2-[3-(methoxymethoxy)-1-phenylpyrazol-4-yl]ethenyl]-5-methyl-1,3-thiazole (PubChem CID 23076484) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-ethyl-4-[(E)-2-[3-(methoxymethoxy)-1-phenylpyrazol-4-yl]ethenyl]-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-ethyl-4-[(E)-2-[3-(methoxymethoxy)-1-phenylpyrazol-4-yl]ethenyl]-5-methyl-1,3-thiazole
PubChem CID23076484
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name2-ethyl-4-[(E)-2-[3-(methoxymethoxy)-1-phenylpyrazol-4-yl]ethenyl]-5-methyl-1,3-thiazole
SMILESCCc1nc(/C=C/c2cn(-c3ccccc3)nc2OCOC)c(C)s1
InChIInChI=1S/C19H21N3O2S/c1-4-18-20-17(14(2)25-18)11-10-15-12-22(16-8-6-5-7-9-16)21-19(15)24-13-23-3/h5-12H,4,13H2,1-3H3/b11-10+
InChIKeyLCXAOGCKRAGLKS-ZHACJKMWSA-N
XLogP4.35
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-[2-(2-ethyl-5-methyl-1,3-thiazol-4-yl)ethenyl]-2-phenyl-1H-pyrazol-5-one;hydrochloride
CID 69215468
4-[(E)-2-(1-phenyl-3-phenylmethoxypyrazol-4-yl)ethenyl]-1,3-thiazole
CID 23076431
3-(3-methoxy-1-phenylpyrazol-4-yl)prop-2-enal
CID 75541949
(E)-3-[4-[[4-[[4-[(Z)-2-(2-ethyl-1,3-thiazol-4-yl)ethenyl]-1-phenylpyrazol-3-yl]oxymethyl]-2-methoxyphenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]prop-2-enoic acid
CID 69216389
4-[[4-[[4-[(E)-2-(2-ethyl-1,3-thiazol-4-yl)ethenyl]-1-phenylpyrazol-3-yl]oxymethyl]-2-methoxyphenoxy]methyl]-2-(furan-2-yl)-5-methyl-1,3-oxazole
CID 69215594
ethyl (E)-3-[4-[[4-[[4-[(Z)-2-(2-ethyl-1,3-thiazol-4-yl)ethenyl]-1-phenylpyrazol-3-yl]oxymethyl]-2-methoxyphenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]prop-2-enoate
CID 86605905
ethyl 5-[4-[[4-[[4-[2-(2-ethyl-1,3-thiazol-4-yl)ethenyl]-1-phenylpyrazol-3-yl]oxymethyl]-2-methoxyphenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]thiophene-2-carboxylate
CID 69216156
ethyl 5-[4-[[4-[[4-[2-(2-ethyl-1,3-thiazol-4-yl)ethenyl]-1-phenylpyrazol-3-yl]oxymethyl]-2-methoxyphenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]furan-2-carboxylate
CID 69214275
N,N-diethyl-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide
CID 1340732
ethyl 4-[3-[4-(2-methoxyethoxy)phenyl]-3-oxoprop-1-enyl]-1-phenylpyrazole-3-carboxylate
CID 55884369
ethyl 2-[4-[4-[[2-methoxy-4-[[4-[(E)-2-(2-methyl-1,3-thiazol-4-yl)ethenyl]-1-phenylpyrazol-3-yl]oxymethyl]phenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]acetate
CID 86605927
4-ethyl-3-(4-methoxyphenyl)-1-phenylpyrazole
CID 67740433

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[(E)-2-[3-(methoxymethoxy)-1-phenylpyrazol-4-yl]ethenyl]-5-methyl-1,3-thiazole?
The IUPAC name of 2-ethyl-4-[(E)-2-[3-(methoxymethoxy)-1-phenylpyrazol-4-yl]ethenyl]-5-methyl-1,3-thiazole (CID 23076484) is 2-ethyl-4-[(E)-2-[3-(methoxymethoxy)-1-phenylpyrazol-4-yl]ethenyl]-5-methyl-1,3-thiazole.
What is the SMILES notation for 2-ethyl-4-[(E)-2-[3-(methoxymethoxy)-1-phenylpyrazol-4-yl]ethenyl]-5-methyl-1,3-thiazole?
The canonical SMILES for 2-ethyl-4-[(E)-2-[3-(methoxymethoxy)-1-phenylpyrazol-4-yl]ethenyl]-5-methyl-1,3-thiazole is CCc1nc(/C=C/c2cn(-c3ccccc3)nc2OCOC)c(C)s1.
What is the InChIKey of 2-ethyl-4-[(E)-2-[3-(methoxymethoxy)-1-phenylpyrazol-4-yl]ethenyl]-5-methyl-1,3-thiazole?
The InChIKey is LCXAOGCKRAGLKS-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-4-18-20-17(14(2)25-18)11-10-15-12-22(16-8-6-5-7-9-16)21-19(15)24-13-23-3/h5-12H,4,13H2,1-3H3/b11-10+.
What are the key properties of 2-ethyl-4-[(E)-2-[3-(methoxymethoxy)-1-phenylpyrazol-4-yl]ethenyl]-5-methyl-1,3-thiazole?
2-ethyl-4-[(E)-2-[3-(methoxymethoxy)-1-phenylpyrazol-4-yl]ethenyl]-5-methyl-1,3-thiazole has a molecular weight of 355.46 g/mol, XLogP of 4.35, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[(E)-2-[3-(methoxymethoxy)-1-phenylpyrazol-4-yl]ethenyl]-5-methyl-1,3-thiazole is sourced from PubChem (CID 23076484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).