(E)-1-(4-methyl-1,3-thiazol-5-yl)-3-(4-phenylphenyl)prop-2-en-1-one

C19H15NOS — CID 169042143

IUPAC(E)-1-(4-methyl-1,3-thiazol-5-yl)-3-(4-phenylphenyl)prop-2-en-1-one
SMILESCc1ncsc1C(=O)/C=C/c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H15NOS/c1-14-19(22-13-20-14)18(21)12-9-15-7-10-17(11-8-15)16-5-3-2-4-6-16/h2-13H,1H3/b12-9+
InChIKeyBDIOLHGEPXMKMX-FMIVXFBMSA-N
MW305.40 g/mol
LogP5.01
Rot. Bonds4

About (E)-1-(4-methyl-1,3-thiazol-5-yl)-3-(4-phenylphenyl)prop-2-en-1-one

(E)-1-(4-methyl-1,3-thiazol-5-yl)-3-(4-phenylphenyl)prop-2-en-1-one (PubChem CID 169042143) has the molecular formula C19H15NOS and a molecular weight of 305.40 g/mol. Its IUPAC name is (E)-1-(4-methyl-1,3-thiazol-5-yl)-3-(4-phenylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-methyl-1,3-thiazol-5-yl)-3-(4-phenylphenyl)prop-2-en-1-one
PubChem CID169042143
Molecular FormulaC19H15NOS
Molecular Weight305.40 g/mol
Exact Mass305.09
IUPAC Name(E)-1-(4-methyl-1,3-thiazol-5-yl)-3-(4-phenylphenyl)prop-2-en-1-one
SMILESCc1ncsc1C(=O)/C=C/c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H15NOS/c1-14-19(22-13-20-14)18(21)12-9-15-7-10-17(11-8-15)16-5-3-2-4-6-16/h2-13H,1H3/b12-9+
InChIKeyBDIOLHGEPXMKMX-FMIVXFBMSA-N
XLogP5.01
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.40
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-methoxyphenyl)-1-(4-methyl-1,3-thiazol-5-yl)prop-2-en-1-one
CID 169042141
(E)-3-(3-methoxyphenyl)-1-(4-methyl-1,3-thiazol-5-yl)prop-2-en-1-one
CID 169042140
(Z)-3-(4-methylphenyl)-1-(4-phenylphenyl)prop-2-en-1-one
CID 12643319
(E)-1-(4-methyl-1,3-thiazol-5-yl)-3-thiophen-2-ylprop-2-en-1-one
CID 47028560
(E)-1-(4-methyl-1,3-thiazol-5-yl)-3-(2-nitrophenyl)prop-2-en-1-one
CID 46428352
(E)-3-[4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]phenyl]prop-2-enoic acid
CID 43654539
CID 11406687
CID 11406687
(E)-3-(4-methylphenyl)-1-(3-phenylthieno[2,3-b]pyridin-2-yl)prop-2-en-1-one
CID 58026327
3-(4-fluorophenyl)-1-(4-phenylphenyl)prop-2-en-1-one
CID 4672651
(4-phenylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate
CID 6275541
(E)-3-[4-[(E)-2-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]ethenyl]phenyl]-1-phenylprop-2-en-1-one
CID 102135410
1-(4-ethylsulfanylphenyl)-3-(4-phenylphenyl)prop-2-en-1-one
CID 67828986

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-methyl-1,3-thiazol-5-yl)-3-(4-phenylphenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-(4-methyl-1,3-thiazol-5-yl)-3-(4-phenylphenyl)prop-2-en-1-one (CID 169042143) is (E)-1-(4-methyl-1,3-thiazol-5-yl)-3-(4-phenylphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(4-methyl-1,3-thiazol-5-yl)-3-(4-phenylphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(4-methyl-1,3-thiazol-5-yl)-3-(4-phenylphenyl)prop-2-en-1-one is Cc1ncsc1C(=O)/C=C/c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (E)-1-(4-methyl-1,3-thiazol-5-yl)-3-(4-phenylphenyl)prop-2-en-1-one?
The InChIKey is BDIOLHGEPXMKMX-FMIVXFBMSA-N. The full InChI is InChI=1S/C19H15NOS/c1-14-19(22-13-20-14)18(21)12-9-15-7-10-17(11-8-15)16-5-3-2-4-6-16/h2-13H,1H3/b12-9+.
What are the key properties of (E)-1-(4-methyl-1,3-thiazol-5-yl)-3-(4-phenylphenyl)prop-2-en-1-one?
(E)-1-(4-methyl-1,3-thiazol-5-yl)-3-(4-phenylphenyl)prop-2-en-1-one has a molecular weight of 305.40 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-methyl-1,3-thiazol-5-yl)-3-(4-phenylphenyl)prop-2-en-1-one is sourced from PubChem (CID 169042143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).