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

C19H16N2O2S — CID 6063589

IUPAC(E)-3-(4-methoxyphenyl)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)prop-2-en-1-one
SMILESCOc1ccc(/C=C/C(=O)c2sc(-c3cccnc3)nc2C)cc1
InChIInChI=1S/C19H16N2O2S/c1-13-18(24-19(21-13)15-4-3-11-20-12-15)17(22)10-7-14-5-8-16(23-2)9-6-14/h3-12H,1-2H3/b10-7+
InChIKeyBSNZIAGYYHPTQB-JXMROGBWSA-N
MW336.42 g/mol
LogP4.42
Rot. Bonds5

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

(E)-3-(4-methoxyphenyl)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)prop-2-en-1-one (PubChem CID 6063589) has the molecular formula C19H16N2O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is (E)-3-(4-methoxyphenyl)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(4-methoxyphenyl)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)prop-2-en-1-one
PubChem CID6063589
Molecular FormulaC19H16N2O2S
Molecular Weight336.42 g/mol
Exact Mass336.09
IUPAC Name(E)-3-(4-methoxyphenyl)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)prop-2-en-1-one
SMILESCOc1ccc(/C=C/C(=O)c2sc(-c3cccnc3)nc2C)cc1
InChIInChI=1S/C19H16N2O2S/c1-13-18(24-19(21-13)15-4-3-11-20-12-15)17(22)10-7-14-5-8-16(23-2)9-6-14/h3-12H,1-2H3/b10-7+
InChIKeyBSNZIAGYYHPTQB-JXMROGBWSA-N
XLogP4.42
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(3-Methoxyphenyl)-1,3-thiazol-2-yl]-2-propylpyridine
CID 7680155
4-[4-(2-Methoxyphenyl)-1,3-thiazol-2-yl]-2-propylpyridine
CID 8057056
3-(4-Methoxy-phenyl)-1-methyl-5-thiazol-2-yl-1H-[2,4'']bipyridinyl-6-one
CID 9885954
N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]pyridine-3-carboxamide
CID 10094283
5-(4-Methoxy-phenyl)-1-methyl-3-(4-methyl-thiazol-2-yl)-6-pyridazin-4-yl-1H-pyridin-2-one
CID 10318234
5-(4-Methoxyphenyl)-1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-6-pyridin-4-ylpyridin-2-one
CID 10475456
3-(4-Cyclopropyl-1,3-thiazol-2-yl)-5-(4-methoxyphenyl)-1-methyl-6-pyridin-4-ylpyridin-2-one
CID 10949738
3-(4-Methoxyphenyl)-5-[(2-methyl-4-thiazolyl)ethynyl]pyridine
CID 11673933
2-(2-Methoxyphenyl)-5-[(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridine
CID 16662929
N-(4-phenoxyphenyl)-4-[2-(pyridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 23644856
3-[4-(4-Methoxy-3-methylphenyl)-1,3-thiazol-2-yl]pyridine
CID 885223
(E)-3-(4-methoxyphenyl)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-propen-1-one
CID 5707201

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methoxyphenyl)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)prop-2-en-1-one?
The IUPAC name of (E)-3-(4-methoxyphenyl)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)prop-2-en-1-one (CID 6063589) is (E)-3-(4-methoxyphenyl)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(4-methoxyphenyl)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(4-methoxyphenyl)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)prop-2-en-1-one is COc1ccc(/C=C/C(=O)c2sc(-c3cccnc3)nc2C)cc1.
What is the InChIKey of (E)-3-(4-methoxyphenyl)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)prop-2-en-1-one?
The InChIKey is BSNZIAGYYHPTQB-JXMROGBWSA-N. The full InChI is InChI=1S/C19H16N2O2S/c1-13-18(24-19(21-13)15-4-3-11-20-12-15)17(22)10-7-14-5-8-16(23-2)9-6-14/h3-12H,1-2H3/b10-7+.
What are the key properties of (E)-3-(4-methoxyphenyl)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)prop-2-en-1-one?
(E)-3-(4-methoxyphenyl)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)prop-2-en-1-one has a molecular weight of 336.42 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methoxyphenyl)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)prop-2-en-1-one is sourced from PubChem (CID 6063589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).