N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide

C13H12N2OS — CID 43616649

IUPACN-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide
SMILESC=CC(=O)N(c1ccccc1)c1nc(C)cs1
InChIInChI=1S/C13H12N2OS/c1-3-12(16)15(11-7-5-4-6-8-11)13-14-10(2)9-17-13/h3-9H,1H2,2H3
InChIKeyPWIFCFHNVXFGIX-UHFFFAOYSA-N
MW244.32 g/mol
LogP3.30
Rot. Bonds3

About N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide

N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide (PubChem CID 43616649) has the molecular formula C13H12N2OS and a molecular weight of 244.32 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide
PubChem CID43616649
Molecular FormulaC13H12N2OS
Molecular Weight244.32 g/mol
Exact Mass244.07
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide
SMILESC=CC(=O)N(c1ccccc1)c1nc(C)cs1
InChIInChI=1S/C13H12N2OS/c1-3-12(16)15(11-7-5-4-6-8-11)13-14-10(2)9-17-13/h3-9H,1H2,2H3
InChIKeyPWIFCFHNVXFGIX-UHFFFAOYSA-N
XLogP3.30
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 53.30
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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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide (CID 43616649) is N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide is C=CC(=O)N(c1ccccc1)c1nc(C)cs1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide?
The InChIKey is PWIFCFHNVXFGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2OS/c1-3-12(16)15(11-7-5-4-6-8-11)13-14-10(2)9-17-13/h3-9H,1H2,2H3.
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide?
N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide has a molecular weight of 244.32 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide is sourced from PubChem (CID 43616649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).