(E)-1-(4-methyl-1,3-thiazol-5-yl)-3-thiophen-2-ylprop-2-en-1-one

C11H9NOS2 — CID 47028560

IUPAC(E)-1-(4-methyl-1,3-thiazol-5-yl)-3-thiophen-2-ylprop-2-en-1-one
SMILESCc1ncsc1C(=O)/C=C/c1cccs1
InChIInChI=1S/C11H9NOS2/c1-8-11(15-7-12-8)10(13)5-4-9-3-2-6-14-9/h2-7H,1H3/b5-4+
InChIKeyPTGAZSUYDOOGTL-SNAWJCMRSA-N
MW235.33 g/mol
LogP3.41
Rot. Bonds3

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

(E)-1-(4-methyl-1,3-thiazol-5-yl)-3-thiophen-2-ylprop-2-en-1-one (PubChem CID 47028560) has the molecular formula C11H9NOS2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (E)-1-(4-methyl-1,3-thiazol-5-yl)-3-thiophen-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-methyl-1,3-thiazol-5-yl)-3-thiophen-2-ylprop-2-en-1-one
PubChem CID47028560
Molecular FormulaC11H9NOS2
Molecular Weight235.33 g/mol
Exact Mass235.01
IUPAC Name(E)-1-(4-methyl-1,3-thiazol-5-yl)-3-thiophen-2-ylprop-2-en-1-one
SMILESCc1ncsc1C(=O)/C=C/c1cccs1
InChIInChI=1S/C11H9NOS2/c1-8-11(15-7-12-8)10(13)5-4-9-3-2-6-14-9/h2-7H,1H3/b5-4+
InChIKeyPTGAZSUYDOOGTL-SNAWJCMRSA-N
XLogP3.41
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-1-(4-methyl-1,3-thiazol-5-yl)-3-thiophen-2-ylprop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-1-(4-methyl-1,3-thiazol-5-yl)-3-(4-phenylphenyl)prop-2-en-1-one
CID 169042143
(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
(E)-1-(4-methyl-1,3-thiazol-5-yl)-3-(2-nitrophenyl)prop-2-en-1-one
CID 46428352
(Z)-1-(4-chlorophenyl)-3-thiophen-2-ylprop-2-en-1-one
CID 92857757
1-(4-aminophenyl)-3-thiophen-2-ylprop-2-en-1-one
CID 53405742
[(E)-3-thiophen-2-ylprop-2-enoyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 100994517
(4-methoxyphenyl) (E)-3-thiophen-2-ylprop-2-enoate
CID 137442894
(4-methylphenyl) 3-thiophen-2-ylprop-2-enoate
CID 4202391
3,5-dimethyl-4-[(E)-3-thiophen-2-ylprop-2-enoyl]-1H-pyrrole-2-carboxylate
CID 9187759
CID 59090948
CID 59090948
(E)-3-thiophen-2-ylprop-2-enoic acid;hydrochloride
CID 88528301

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-methyl-1,3-thiazol-5-yl)-3-thiophen-2-ylprop-2-en-1-one?
The IUPAC name of (E)-1-(4-methyl-1,3-thiazol-5-yl)-3-thiophen-2-ylprop-2-en-1-one (CID 47028560) is (E)-1-(4-methyl-1,3-thiazol-5-yl)-3-thiophen-2-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1-(4-methyl-1,3-thiazol-5-yl)-3-thiophen-2-ylprop-2-en-1-one?
The canonical SMILES for (E)-1-(4-methyl-1,3-thiazol-5-yl)-3-thiophen-2-ylprop-2-en-1-one is Cc1ncsc1C(=O)/C=C/c1cccs1.
What is the InChIKey of (E)-1-(4-methyl-1,3-thiazol-5-yl)-3-thiophen-2-ylprop-2-en-1-one?
The InChIKey is PTGAZSUYDOOGTL-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H9NOS2/c1-8-11(15-7-12-8)10(13)5-4-9-3-2-6-14-9/h2-7H,1H3/b5-4+.
What are the key properties of (E)-1-(4-methyl-1,3-thiazol-5-yl)-3-thiophen-2-ylprop-2-en-1-one?
(E)-1-(4-methyl-1,3-thiazol-5-yl)-3-thiophen-2-ylprop-2-en-1-one has a molecular weight of 235.33 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-methyl-1,3-thiazol-5-yl)-3-thiophen-2-ylprop-2-en-1-one is sourced from PubChem (CID 47028560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).