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

C18H13NOS — CID 167905585

IUPAC(E)-1-(3-phenylphenyl)-3-(1,3-thiazol-5-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1cncs1)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C18H13NOS/c20-18(10-9-17-12-19-13-21-17)16-8-4-7-15(11-16)14-5-2-1-3-6-14/h1-13H/b10-9+
InChIKeyIOYDUFBPEFAZOU-MDZDMXLPSA-N
MW291.38 g/mol
LogP4.71
Rot. Bonds4

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

(E)-1-(3-phenylphenyl)-3-(1,3-thiazol-5-yl)prop-2-en-1-one (PubChem CID 167905585) has the molecular formula C18H13NOS and a molecular weight of 291.38 g/mol. Its IUPAC name is (E)-1-(3-phenylphenyl)-3-(1,3-thiazol-5-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(3-phenylphenyl)-3-(1,3-thiazol-5-yl)prop-2-en-1-one
PubChem CID167905585
Molecular FormulaC18H13NOS
Molecular Weight291.38 g/mol
Exact Mass291.07
IUPAC Name(E)-1-(3-phenylphenyl)-3-(1,3-thiazol-5-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1cncs1)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C18H13NOS/c20-18(10-9-17-12-19-13-21-17)16-8-4-7-15(11-16)14-5-2-1-3-6-14/h1-13H/b10-9+
InChIKeyIOYDUFBPEFAZOU-MDZDMXLPSA-N
XLogP4.71
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 54.71
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

3-(1,3-thiazol-5-yl)prop-2-enoic acid
CID 67437915
(E)-3-(4-phenylthiophen-2-yl)-1-pyridin-3-ylprop-2-en-1-one
CID 166186509
1-(furan-2-yl)-3-(1,3-thiazol-5-yl)prop-2-en-1-one
CID 67074004
(E)-3-azulen-2-yl-1-azulen-6-ylprop-2-en-1-one
CID 101376278
(E)-1-(2-methyl-1H-indol-3-yl)-3-(1,3-thiazol-5-yl)prop-2-en-1-one
CID 166225115
3-(2-methylpyrazol-3-yl)-1-(3-pyridin-4-ylphenyl)prop-2-en-1-one
CID 91942990
(E)-1-(5-bromo-1H-indol-3-yl)-3-(1,3-thiazol-5-yl)prop-2-en-1-one
CID 166213903
N,N-dimethyl-3-(1,3-thiazol-5-yl)prop-2-enamide
CID 68849301
3-[3-[3-oxo-3-(4-phenylphenyl)prop-1-enyl]phenyl]-1-(4-phenylphenyl)prop-2-en-1-one
CID 3939138
(E)-3-[3-(4-fluorophenyl)phenyl]-1-phenylprop-2-en-1-one
CID 137321349
1-(3-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)prop-2-en-1-one
CID 72685777
3-[3-(3-oxo-3-phenylprop-1-enyl)phenyl]prop-2-enoic acid
CID 75076829

Frequently Asked Questions

What is the IUPAC name of (E)-1-(3-phenylphenyl)-3-(1,3-thiazol-5-yl)prop-2-en-1-one?
The IUPAC name of (E)-1-(3-phenylphenyl)-3-(1,3-thiazol-5-yl)prop-2-en-1-one (CID 167905585) is (E)-1-(3-phenylphenyl)-3-(1,3-thiazol-5-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(3-phenylphenyl)-3-(1,3-thiazol-5-yl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(3-phenylphenyl)-3-(1,3-thiazol-5-yl)prop-2-en-1-one is O=C(/C=C/c1cncs1)c1cccc(-c2ccccc2)c1.
What is the InChIKey of (E)-1-(3-phenylphenyl)-3-(1,3-thiazol-5-yl)prop-2-en-1-one?
The InChIKey is IOYDUFBPEFAZOU-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H13NOS/c20-18(10-9-17-12-19-13-21-17)16-8-4-7-15(11-16)14-5-2-1-3-6-14/h1-13H/b10-9+.
What are the key properties of (E)-1-(3-phenylphenyl)-3-(1,3-thiazol-5-yl)prop-2-en-1-one?
(E)-1-(3-phenylphenyl)-3-(1,3-thiazol-5-yl)prop-2-en-1-one has a molecular weight of 291.38 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3-phenylphenyl)-3-(1,3-thiazol-5-yl)prop-2-en-1-one is sourced from PubChem (CID 167905585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).