N-benzyl-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide

C19H16N2OS — CID 155554862

IUPACN-benzyl-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
SMILESC=CC(=O)N(Cc1ccccc1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H16N2OS/c1-2-18(22)21(13-15-9-5-3-6-10-15)19-20-17(14-23-19)16-11-7-4-8-12-16/h2-12,14H,1,13H2
InChIKeyPGJCDZLJDSGLIH-UHFFFAOYSA-N
MW320.42 g/mol
LogP4.53
Rot. Bonds5

About N-benzyl-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide

N-benzyl-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide (PubChem CID 155554862) has the molecular formula C19H16N2OS and a molecular weight of 320.42 g/mol. Its IUPAC name is N-benzyl-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-benzyl-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
PubChem CID155554862
Molecular FormulaC19H16N2OS
Molecular Weight320.42 g/mol
Exact Mass320.10
IUPAC NameN-benzyl-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
SMILESC=CC(=O)N(Cc1ccccc1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H16N2OS/c1-2-18(22)21(13-15-9-5-3-6-10-15)19-20-17(14-23-19)16-11-7-4-8-12-16/h2-12,14H,1,13H2
InChIKeyPGJCDZLJDSGLIH-UHFFFAOYSA-N
XLogP4.53
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 54.53
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-benzyl-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide?
The IUPAC name of N-benzyl-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide (CID 155554862) is N-benzyl-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide.
What is the SMILES notation for N-benzyl-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide?
The canonical SMILES for N-benzyl-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide is C=CC(=O)N(Cc1ccccc1)c1nc(-c2ccccc2)cs1.
What is the InChIKey of N-benzyl-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide?
The InChIKey is PGJCDZLJDSGLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2OS/c1-2-18(22)21(13-15-9-5-3-6-10-15)19-20-17(14-23-19)16-11-7-4-8-12-16/h2-12,14H,1,13H2.
What are the key properties of N-benzyl-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide?
N-benzyl-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide has a molecular weight of 320.42 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide is sourced from PubChem (CID 155554862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).