2-phenyl-N-prop-2-enyl-1,3-thiazole-4-carboxamide

C13H12N2OS — CID 2768692

IUPAC2-phenyl-N-prop-2-enyl-1,3-thiazole-4-carboxamide
SMILESC=CCNC(=O)c1csc(-c2ccccc2)n1
InChIInChI=1S/C13H12N2OS/c1-2-8-14-12(16)11-9-17-13(15-11)10-6-4-3-5-7-10/h2-7,9H,1,8H2,(H,14,16)
InChIKeyHPSJITMHRJUUMB-UHFFFAOYSA-N
MW244.32 g/mol
LogP2.73
Rot. Bonds4

About 2-phenyl-N-prop-2-enyl-1,3-thiazole-4-carboxamide

2-phenyl-N-prop-2-enyl-1,3-thiazole-4-carboxamide (PubChem CID 2768692) has the molecular formula C13H12N2OS and a molecular weight of 244.32 g/mol. Its IUPAC name is 2-phenyl-N-prop-2-enyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-prop-2-enyl-1,3-thiazole-4-carboxamide
PubChem CID2768692
Molecular FormulaC13H12N2OS
Molecular Weight244.32 g/mol
Exact Mass244.07
IUPAC Name2-phenyl-N-prop-2-enyl-1,3-thiazole-4-carboxamide
SMILESC=CCNC(=O)c1csc(-c2ccccc2)n1
InChIInChI=1S/C13H12N2OS/c1-2-8-14-12(16)11-9-17-13(15-11)10-6-4-3-5-7-10/h2-7,9H,1,8H2,(H,14,16)
InChIKeyHPSJITMHRJUUMB-UHFFFAOYSA-N
XLogP2.73
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-prop-2-enyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-phenyl-N-prop-2-enyl-1,3-thiazole-4-carboxamide (CID 2768692) is 2-phenyl-N-prop-2-enyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-phenyl-N-prop-2-enyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-phenyl-N-prop-2-enyl-1,3-thiazole-4-carboxamide is C=CCNC(=O)c1csc(-c2ccccc2)n1.
What is the InChIKey of 2-phenyl-N-prop-2-enyl-1,3-thiazole-4-carboxamide?
The InChIKey is HPSJITMHRJUUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2OS/c1-2-8-14-12(16)11-9-17-13(15-11)10-6-4-3-5-7-10/h2-7,9H,1,8H2,(H,14,16).
What are the key properties of 2-phenyl-N-prop-2-enyl-1,3-thiazole-4-carboxamide?
2-phenyl-N-prop-2-enyl-1,3-thiazole-4-carboxamide has a molecular weight of 244.32 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-prop-2-enyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 2768692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).