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

C14H14N2OS — CID 54581406

IUPAC(E)-1-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-3-phenylprop-2-en-1-one
SMILESCNc1nc(C)c(C(=O)/C=C/c2ccccc2)s1
InChIInChI=1S/C14H14N2OS/c1-10-13(18-14(15-2)16-10)12(17)9-8-11-6-4-3-5-7-11/h3-9H,1-2H3,(H,15,16)/b9-8+
InChIKeyFFZKLRWVNFFAQI-CMDGGOBGSA-N
MW258.35 g/mol
LogP3.39
Rot. Bonds4

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

(E)-1-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-3-phenylprop-2-en-1-one (PubChem CID 54581406) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is (E)-1-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-3-phenylprop-2-en-1-one
PubChem CID54581406
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name(E)-1-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-3-phenylprop-2-en-1-one
SMILESCNc1nc(C)c(C(=O)/C=C/c2ccccc2)s1
InChIInChI=1S/C14H14N2OS/c1-10-13(18-14(15-2)16-10)12(17)9-8-11-6-4-3-5-7-11/h3-9H,1-2H3,(H,15,16)/b9-8+
InChIKeyFFZKLRWVNFFAQI-CMDGGOBGSA-N
XLogP3.39
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-Methyl-2-[(2-phenylethyl)amino]-1,3-thiazole-5-carboxylic acid
CID 4961858
(4-Amino-2-(tert-butylamino)-1,3-thiazol-5-yl)(phenyl)methanone
CID 1484819
1-[2-(Benzylamino)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 963386
[2-(Methylamino)-1,3-thiazol-5-yl](phenyl)methanone
CID 1485902
(2-Anilino-4-methyl-1,3-thiazol-5-yl)-phenylmethanone
CID 2814150
N-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide
CID 809483
1-[4-Methyl-2-(3-toluidino)-1,3-thiazol-5-yl]-1-ethanone
CID 1485160
1-Benzoyl-3-(4,5-dimethyl-1,3-thiazol-2-YL)thiourea
CID 782768
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-methylbenzamide
CID 3893580
1-[4-Methyl-2-(1-phenylethylamino)-1,3-thiazol-5-yl]ethanone
CID 4880438
1-[4-Methyl-2-(4-methylanilino)-1,3-thiazol-5-yl]ethanone;hydrobromide
CID 5333115
N-(5-Acetyl-4-methyl-thiazol-2-yl)-4-methyl-benzamide
CID 733899

Frequently Asked Questions

What is the IUPAC name of (E)-1-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-3-phenylprop-2-en-1-one?
The IUPAC name of (E)-1-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-3-phenylprop-2-en-1-one (CID 54581406) is (E)-1-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-3-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-1-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-3-phenylprop-2-en-1-one?
The canonical SMILES for (E)-1-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-3-phenylprop-2-en-1-one is CNc1nc(C)c(C(=O)/C=C/c2ccccc2)s1.
What is the InChIKey of (E)-1-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-3-phenylprop-2-en-1-one?
The InChIKey is FFZKLRWVNFFAQI-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H14N2OS/c1-10-13(18-14(15-2)16-10)12(17)9-8-11-6-4-3-5-7-11/h3-9H,1-2H3,(H,15,16)/b9-8+.
What are the key properties of (E)-1-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-3-phenylprop-2-en-1-one?
(E)-1-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-3-phenylprop-2-en-1-one has a molecular weight of 258.35 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-3-phenylprop-2-en-1-one is sourced from PubChem (CID 54581406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).