4-[(E)-2-(1-phenyl-3-phenylmethoxypyrazol-4-yl)ethenyl]-1,3-thiazole

C21H17N3OS — CID 23076431

IUPAC4-[(E)-2-(1-phenyl-3-phenylmethoxypyrazol-4-yl)ethenyl]-1,3-thiazole
SMILESC(=C/c1cn(-c2ccccc2)nc1OCc1ccccc1)\c1cscn1
InChIInChI=1S/C21H17N3OS/c1-3-7-17(8-4-1)14-25-21-18(11-12-19-15-26-16-22-19)13-24(23-21)20-9-5-2-6-10-20/h1-13,15-16H,14H2/b12-11+
InChIKeyHRNHCWROAKKTFM-VAWYXSNFSA-N
MW359.45 g/mol
LogP5.08
Rot. Bonds6

About 4-[(E)-2-(1-phenyl-3-phenylmethoxypyrazol-4-yl)ethenyl]-1,3-thiazole

4-[(E)-2-(1-phenyl-3-phenylmethoxypyrazol-4-yl)ethenyl]-1,3-thiazole (PubChem CID 23076431) has the molecular formula C21H17N3OS and a molecular weight of 359.45 g/mol. Its IUPAC name is 4-[(E)-2-(1-phenyl-3-phenylmethoxypyrazol-4-yl)ethenyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[(E)-2-(1-phenyl-3-phenylmethoxypyrazol-4-yl)ethenyl]-1,3-thiazole
PubChem CID23076431
Molecular FormulaC21H17N3OS
Molecular Weight359.45 g/mol
Exact Mass359.11
IUPAC Name4-[(E)-2-(1-phenyl-3-phenylmethoxypyrazol-4-yl)ethenyl]-1,3-thiazole
SMILESC(=C/c1cn(-c2ccccc2)nc1OCc1ccccc1)\c1cscn1
InChIInChI=1S/C21H17N3OS/c1-3-7-17(8-4-1)14-25-21-18(11-12-19-15-26-16-22-19)13-24(23-21)20-9-5-2-6-10-20/h1-13,15-16H,14H2/b12-11+
InChIKeyHRNHCWROAKKTFM-VAWYXSNFSA-N
XLogP5.08
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.45
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-phenyl-3-phenylmethoxypyrazol-4-yl)acetic acid
CID 69430505
2-ethyl-4-[(E)-2-[3-(methoxymethoxy)-1-phenylpyrazol-4-yl]ethenyl]-5-methyl-1,3-thiazole
CID 23076484
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
(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 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
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
2-[4-[4-[[4-[[4-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethenyl]-1-phenylpyrazol-3-yl]oxymethyl]-2-methoxyphenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]acetic acid
CID 69217332
3-(3-methoxy-1-phenylpyrazol-4-yl)prop-2-enal
CID 75541949
6-(2-phenylethenyl)-3,4-bis(phenylmethoxy)pyridazine
CID 89415006
benzyl 3-(1-phenylpyrazol-3-yl)prop-2-enoate
CID 123661996
3-[(4-phenylmethoxyphenyl)methoxy]-1-[(4-phenylmethoxyphenyl)methyl]pyrazole-4-carbaldehyde
CID 23024793

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(1-phenyl-3-phenylmethoxypyrazol-4-yl)ethenyl]-1,3-thiazole?
The IUPAC name of 4-[(E)-2-(1-phenyl-3-phenylmethoxypyrazol-4-yl)ethenyl]-1,3-thiazole (CID 23076431) is 4-[(E)-2-(1-phenyl-3-phenylmethoxypyrazol-4-yl)ethenyl]-1,3-thiazole.
What is the SMILES notation for 4-[(E)-2-(1-phenyl-3-phenylmethoxypyrazol-4-yl)ethenyl]-1,3-thiazole?
The canonical SMILES for 4-[(E)-2-(1-phenyl-3-phenylmethoxypyrazol-4-yl)ethenyl]-1,3-thiazole is C(=C/c1cn(-c2ccccc2)nc1OCc1ccccc1)\c1cscn1.
What is the InChIKey of 4-[(E)-2-(1-phenyl-3-phenylmethoxypyrazol-4-yl)ethenyl]-1,3-thiazole?
The InChIKey is HRNHCWROAKKTFM-VAWYXSNFSA-N. The full InChI is InChI=1S/C21H17N3OS/c1-3-7-17(8-4-1)14-25-21-18(11-12-19-15-26-16-22-19)13-24(23-21)20-9-5-2-6-10-20/h1-13,15-16H,14H2/b12-11+.
What are the key properties of 4-[(E)-2-(1-phenyl-3-phenylmethoxypyrazol-4-yl)ethenyl]-1,3-thiazole?
4-[(E)-2-(1-phenyl-3-phenylmethoxypyrazol-4-yl)ethenyl]-1,3-thiazole has a molecular weight of 359.45 g/mol, XLogP of 5.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(1-phenyl-3-phenylmethoxypyrazol-4-yl)ethenyl]-1,3-thiazole is sourced from PubChem (CID 23076431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).