(E)-3-(4-hydroxyphenyl)-1-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]prop-2-en-1-one

C14H14N2O2S — CID 162651007

IUPAC(E)-3-(4-hydroxyphenyl)-1-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]prop-2-en-1-one
SMILESCNc1nc(C)c(C(=O)/C=C/c2ccc(O)cc2)s1
InChIInChI=1S/C14H14N2O2S/c1-9-13(19-14(15-2)16-9)12(18)8-5-10-3-6-11(17)7-4-10/h3-8,17H,1-2H3,(H,15,16)/b8-5+
InChIKeyHNISRJUMJWXDHT-VMPITWQZSA-N
MW274.35 g/mol
LogP3.09
Rot. Bonds4

About (E)-3-(4-hydroxyphenyl)-1-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]prop-2-en-1-one

(E)-3-(4-hydroxyphenyl)-1-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]prop-2-en-1-one (PubChem CID 162651007) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is (E)-3-(4-hydroxyphenyl)-1-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(4-hydroxyphenyl)-1-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]prop-2-en-1-one
PubChem CID162651007
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC Name(E)-3-(4-hydroxyphenyl)-1-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]prop-2-en-1-one
SMILESCNc1nc(C)c(C(=O)/C=C/c2ccc(O)cc2)s1
InChIInChI=1S/C14H14N2O2S/c1-9-13(19-14(15-2)16-9)12(18)8-5-10-3-6-11(17)7-4-10/h3-8,17H,1-2H3,(H,15,16)/b8-5+
InChIKeyHNISRJUMJWXDHT-VMPITWQZSA-N
XLogP3.09
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[4-Methyl-2-[2-(4-methylphenoxy)ethylamino]-5-thiazolyl]ethanone
CID 1980098
2-Hydroxybenzaldehyde (5-acetyl-4-methyl-1,3-thiazol-2-yl)hydrazone
CID 135433169
Cdk1/2/4-IN-1
CID 164886606
(E)-1-(2-(2-(3-hydroxybenzylidene)hydrazinyl)-4-methylthiazol-5-yl)ethanone
CID 9622712
2-{[(4-Hydroxyphenyl)methyl]amino}-4-methyl-1,3-thiazole-5-carboxylic acid (5f)
CID 9149100
2-[(4-Methoxybenzyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 9149294
2-{[(2-Hydroxyphenyl)methyl]amino}-4-methyl-1,3-thiazole-5-carboxylic acid (5m)
CID 118987413
2-{[(3,4-Dihydroxyphenyl)methyl]amino}-4-methyl-1,3-thiazole-5-carboxylic acid (5p)
CID 118987414
(E)-1-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-3-phenylprop-2-en-1-one
CID 54581406
(E)-3-(2-methoxyphenyl)-1-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]prop-2-en-1-one
CID 54583399
(E)-3-(4-methoxyphenyl)-1-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]prop-2-en-1-one
CID 54584349
(E)-1-[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-3-(2-methoxyphenyl)prop-2-en-1-one
CID 57399273

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-hydroxyphenyl)-1-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]prop-2-en-1-one?
The IUPAC name of (E)-3-(4-hydroxyphenyl)-1-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]prop-2-en-1-one (CID 162651007) is (E)-3-(4-hydroxyphenyl)-1-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]prop-2-en-1-one.
What is the SMILES notation for (E)-3-(4-hydroxyphenyl)-1-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]prop-2-en-1-one?
The canonical SMILES for (E)-3-(4-hydroxyphenyl)-1-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]prop-2-en-1-one is CNc1nc(C)c(C(=O)/C=C/c2ccc(O)cc2)s1.
What is the InChIKey of (E)-3-(4-hydroxyphenyl)-1-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]prop-2-en-1-one?
The InChIKey is HNISRJUMJWXDHT-VMPITWQZSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-9-13(19-14(15-2)16-9)12(18)8-5-10-3-6-11(17)7-4-10/h3-8,17H,1-2H3,(H,15,16)/b8-5+.
What are the key properties of (E)-3-(4-hydroxyphenyl)-1-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]prop-2-en-1-one?
(E)-3-(4-hydroxyphenyl)-1-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]prop-2-en-1-one has a molecular weight of 274.35 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-hydroxyphenyl)-1-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]prop-2-en-1-one is sourced from PubChem (CID 162651007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).