(2-phenyl-1,3-thiazol-4-yl)methyl 3-phenylprop-2-enoate

C19H15NO2S — CID 3675548

IUPAC(2-phenyl-1,3-thiazol-4-yl)methyl 3-phenylprop-2-enoate
SMILESO=C(C=Cc1ccccc1)OCc1csc(-c2ccccc2)n1
InChIInChI=1S/C19H15NO2S/c21-18(12-11-15-7-3-1-4-8-15)22-13-17-14-23-19(20-17)16-9-5-2-6-10-16/h1-12,14H,13H2
InChIKeyWXLMRSYISCDXJB-UHFFFAOYSA-N
MW321.40 g/mol
LogP4.57
Rot. Bonds5

About (2-phenyl-1,3-thiazol-4-yl)methyl 3-phenylprop-2-enoate

(2-phenyl-1,3-thiazol-4-yl)methyl 3-phenylprop-2-enoate (PubChem CID 3675548) has the molecular formula C19H15NO2S and a molecular weight of 321.40 g/mol. Its IUPAC name is (2-phenyl-1,3-thiazol-4-yl)methyl 3-phenylprop-2-enoate.

Molecular Properties

Compound Name(2-phenyl-1,3-thiazol-4-yl)methyl 3-phenylprop-2-enoate
PubChem CID3675548
Molecular FormulaC19H15NO2S
Molecular Weight321.40 g/mol
Exact Mass321.08
IUPAC Name(2-phenyl-1,3-thiazol-4-yl)methyl 3-phenylprop-2-enoate
SMILESO=C(C=Cc1ccccc1)OCc1csc(-c2ccccc2)n1
InChIInChI=1S/C19H15NO2S/c21-18(12-11-15-7-3-1-4-8-15)22-13-17-14-23-19(20-17)16-9-5-2-6-10-16/h1-12,14H,13H2
InChIKeyWXLMRSYISCDXJB-UHFFFAOYSA-N
XLogP4.57
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2-phenyl-1,3-thiazol-4-yl)methyl (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 7793722
(2-phenyl-1,3-thiazol-4-yl)methyl (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate
CID 7904987
(2-phenyl-1,3-thiazol-4-yl)methyl (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate
CID 7253477
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 7861532
(2-phenyl-1,3-thiazol-4-yl)methyl (E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoate
CID 8675129
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl (E)-3-thiophen-2-ylprop-2-enoate
CID 8653895
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl (E)-3-(2-fluorophenyl)prop-2-enoate
CID 7485707
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 3-quinolin-2-ylprop-2-enoate
CID 71953116
(2-phenyl-1,3-thiazol-4-yl)methyl 3-(2-phenylethenylsulfonylamino)propanoate
CID 4797496
(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate
CID 8848881
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 7966259
[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl (Z)-3-phenylprop-2-enoate
CID 16869469

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-thiazol-4-yl)methyl 3-phenylprop-2-enoate?
The IUPAC name of (2-phenyl-1,3-thiazol-4-yl)methyl 3-phenylprop-2-enoate (CID 3675548) is (2-phenyl-1,3-thiazol-4-yl)methyl 3-phenylprop-2-enoate.
What is the SMILES notation for (2-phenyl-1,3-thiazol-4-yl)methyl 3-phenylprop-2-enoate?
The canonical SMILES for (2-phenyl-1,3-thiazol-4-yl)methyl 3-phenylprop-2-enoate is O=C(C=Cc1ccccc1)OCc1csc(-c2ccccc2)n1.
What is the InChIKey of (2-phenyl-1,3-thiazol-4-yl)methyl 3-phenylprop-2-enoate?
The InChIKey is WXLMRSYISCDXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO2S/c21-18(12-11-15-7-3-1-4-8-15)22-13-17-14-23-19(20-17)16-9-5-2-6-10-16/h1-12,14H,13H2.
What are the key properties of (2-phenyl-1,3-thiazol-4-yl)methyl 3-phenylprop-2-enoate?
(2-phenyl-1,3-thiazol-4-yl)methyl 3-phenylprop-2-enoate has a molecular weight of 321.40 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1,3-thiazol-4-yl)methyl 3-phenylprop-2-enoate is sourced from PubChem (CID 3675548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).