N-(5-phenyl-1,3-thiazol-2-yl)prop-2-enamide

C12H10N2OS — CID 155537169

IUPACN-(5-phenyl-1,3-thiazol-2-yl)prop-2-enamide
SMILESC=CC(=O)Nc1ncc(-c2ccccc2)s1
InChIInChI=1S/C12H10N2OS/c1-2-11(15)14-12-13-8-10(16-12)9-6-4-3-5-7-9/h2-8H,1H2,(H,13,14,15)
InChIKeyYBIRIJVIMIKKCX-UHFFFAOYSA-N
MW230.29 g/mol
LogP2.93
Rot. Bonds3

About N-(5-phenyl-1,3-thiazol-2-yl)prop-2-enamide

N-(5-phenyl-1,3-thiazol-2-yl)prop-2-enamide (PubChem CID 155537169) has the molecular formula C12H10N2OS and a molecular weight of 230.29 g/mol. Its IUPAC name is N-(5-phenyl-1,3-thiazol-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(5-phenyl-1,3-thiazol-2-yl)prop-2-enamide
PubChem CID155537169
Molecular FormulaC12H10N2OS
Molecular Weight230.29 g/mol
Exact Mass230.05
IUPAC NameN-(5-phenyl-1,3-thiazol-2-yl)prop-2-enamide
SMILESC=CC(=O)Nc1ncc(-c2ccccc2)s1
InChIInChI=1S/C12H10N2OS/c1-2-11(15)14-12-13-8-10(16-12)9-6-4-3-5-7-9/h2-8H,1H2,(H,13,14,15)
InChIKeyYBIRIJVIMIKKCX-UHFFFAOYSA-N
XLogP2.93
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 52.93
H-Bond Donors ≤ 51
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-(5-phenyl-1,3-thiazol-2-yl)prop-2-enamide?
The IUPAC name of N-(5-phenyl-1,3-thiazol-2-yl)prop-2-enamide (CID 155537169) is N-(5-phenyl-1,3-thiazol-2-yl)prop-2-enamide.
What is the SMILES notation for N-(5-phenyl-1,3-thiazol-2-yl)prop-2-enamide?
The canonical SMILES for N-(5-phenyl-1,3-thiazol-2-yl)prop-2-enamide is C=CC(=O)Nc1ncc(-c2ccccc2)s1.
What is the InChIKey of N-(5-phenyl-1,3-thiazol-2-yl)prop-2-enamide?
The InChIKey is YBIRIJVIMIKKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2OS/c1-2-11(15)14-12-13-8-10(16-12)9-6-4-3-5-7-9/h2-8H,1H2,(H,13,14,15).
What are the key properties of N-(5-phenyl-1,3-thiazol-2-yl)prop-2-enamide?
N-(5-phenyl-1,3-thiazol-2-yl)prop-2-enamide has a molecular weight of 230.29 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-phenyl-1,3-thiazol-2-yl)prop-2-enamide is sourced from PubChem (CID 155537169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).