(E)-N-(3-methyl-1,3-thiazol-2-ylidene)-3-phenylprop-2-enamide

C13H12N2OS — CID 7944210

IUPAC(E)-N-(3-methyl-1,3-thiazol-2-ylidene)-3-phenylprop-2-enamide
SMILESCn1ccs/c1=N/C(=O)/C=C/c1ccccc1
InChIInChI=1S/C13H12N2OS/c1-15-9-10-17-13(15)14-12(16)8-7-11-5-3-2-4-6-11/h2-10H,1H3/b8-7+,14-13+
InChIKeyMTFWHCFKXKNLAF-SCCLZRITSA-N
MW244.32 g/mol
LogP2.23
Rot. Bonds2

About (E)-N-(3-methyl-1,3-thiazol-2-ylidene)-3-phenylprop-2-enamide

(E)-N-(3-methyl-1,3-thiazol-2-ylidene)-3-phenylprop-2-enamide (PubChem CID 7944210) has the molecular formula C13H12N2OS and a molecular weight of 244.32 g/mol. Its IUPAC name is (E)-N-(3-methyl-1,3-thiazol-2-ylidene)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-methyl-1,3-thiazol-2-ylidene)-3-phenylprop-2-enamide
PubChem CID7944210
Molecular FormulaC13H12N2OS
Molecular Weight244.32 g/mol
Exact Mass244.07
IUPAC Name(E)-N-(3-methyl-1,3-thiazol-2-ylidene)-3-phenylprop-2-enamide
SMILESCn1ccs/c1=N/C(=O)/C=C/c1ccccc1
InChIInChI=1S/C13H12N2OS/c1-15-9-10-17-13(15)14-12(16)8-7-11-5-3-2-4-6-11/h2-10H,1H3/b8-7+,14-13+
InChIKeyMTFWHCFKXKNLAF-SCCLZRITSA-N
XLogP2.23
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 52.23
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

(E)-3-methylsulfanyl-N-(3-methyl-1,3-thiazol-2-ylidene)prop-2-enamide
CID 131235703
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-methyl-1,3-thiazol-2-ylidene)prop-2-enamide
CID 24586169
3-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)but-2-enamide
CID 130668129
(E)-N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-3-phenylprop-2-enamide
CID 40613007
(E)-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)-3-phenylprop-2-enamide
CID 7109194
(Z)-N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-3-phenylprop-2-enamide
CID 40885580
(E)-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)-3-phenylprop-2-enamide
CID 43984083
N-(3-methyl-1,3-thiazol-2-ylidene)quinoline-2-carboxamide
CID 9101394
N-(3-methyl-1,3-thiazol-2-ylidene)-2-(trifluoromethyl)benzamide
CID 56777924
1-(benzenesulfonyl)-N-(3-methyl-1,3-thiazol-2-ylidene)cyclopentane-1-carboxamide
CID 24595762
N-[3-(2-methoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]-3-phenylprop-2-enamide
CID 74744558
(E)-N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-phenylprop-2-enamide
CID 2329553

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-methyl-1,3-thiazol-2-ylidene)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(3-methyl-1,3-thiazol-2-ylidene)-3-phenylprop-2-enamide (CID 7944210) is (E)-N-(3-methyl-1,3-thiazol-2-ylidene)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(3-methyl-1,3-thiazol-2-ylidene)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(3-methyl-1,3-thiazol-2-ylidene)-3-phenylprop-2-enamide is Cn1ccs/c1=N/C(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N-(3-methyl-1,3-thiazol-2-ylidene)-3-phenylprop-2-enamide?
The InChIKey is MTFWHCFKXKNLAF-SCCLZRITSA-N. The full InChI is InChI=1S/C13H12N2OS/c1-15-9-10-17-13(15)14-12(16)8-7-11-5-3-2-4-6-11/h2-10H,1H3/b8-7+,14-13+.
What are the key properties of (E)-N-(3-methyl-1,3-thiazol-2-ylidene)-3-phenylprop-2-enamide?
(E)-N-(3-methyl-1,3-thiazol-2-ylidene)-3-phenylprop-2-enamide has a molecular weight of 244.32 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-methyl-1,3-thiazol-2-ylidene)-3-phenylprop-2-enamide is sourced from PubChem (CID 7944210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).