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

C12H10N2OS — CID 12643450

IUPACN-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
SMILESC=CC(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C12H10N2OS/c1-2-11(15)14-12-13-10(8-16-12)9-6-4-3-5-7-9/h2-8H,1H2,(H,13,14,15)
InChIKeyOSAMNIZYXKQPJI-UHFFFAOYSA-N
MW230.29 g/mol
LogP2.93
Rot. Bonds3

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

N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide (PubChem CID 12643450) has the molecular formula C12H10N2OS and a molecular weight of 230.29 g/mol. Its IUPAC name is N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
PubChem CID12643450
Molecular FormulaC12H10N2OS
Molecular Weight230.29 g/mol
Exact Mass230.05
IUPAC NameN-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
SMILESC=CC(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C12H10N2OS/c1-2-11(15)14-12-13-10(8-16-12)9-6-4-3-5-7-9/h2-8H,1H2,(H,13,14,15)
InChIKeyOSAMNIZYXKQPJI-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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Related Compounds

2-Amino-4-phenylthiazole
CID 40302
4-Phenyl-N-(2-phenylethyl)-2-thiazolamine
CID 54339
2-Amino-4-(4-biphenylyl)thiazole
CID 76075
2-Amino-4-phenylthiazole hydrobromide monohydrate
CID 40301
4-(2-Methylphenyl)-1,3-thiazol-2-amine
CID 220174
4-(4-Methylphenyl)-1,3-thiazol-2(3H)-imine
CID 244066
N-cyclohexyl-4-phenyl-1,3-thiazol-2-amine
CID 2447522
2-Hydrazinyl-4-phenylthiazole
CID 98613
4-(4-Fluorophenyl)-1,3-thiazol-2-amine
CID 722371
4-(4-Benzylphenyl)thiazol-2-amine
CID 3768902
4-Methyl-N-(4-phenyl-2-thiazolyl)benzamide
CID 577347
N-(4-Phenyl-thiazol-2-yl)-benzamide
CID 746475

Frequently Asked Questions

What is the IUPAC name of N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide?
The IUPAC name of N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide (CID 12643450) is N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide.
What is the SMILES notation for N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide?
The canonical SMILES for N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide is C=CC(=O)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide?
The InChIKey is OSAMNIZYXKQPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2OS/c1-2-11(15)14-12-13-10(8-16-12)9-6-4-3-5-7-9/h2-8H,1H2,(H,13,14,15).
What are the key properties of N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide?
N-(4-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-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide is sourced from PubChem (CID 12643450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).