N-phenyl-2-(4-prop-2-enoxyphenyl)-1,3-thiazole-4-carboxamide

C19H16N2O2S — CID 42865771

IUPACN-phenyl-2-(4-prop-2-enoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESC=CCOc1ccc(-c2nc(C(=O)Nc3ccccc3)cs2)cc1
InChIInChI=1S/C19H16N2O2S/c1-2-12-23-16-10-8-14(9-11-16)19-21-17(13-24-19)18(22)20-15-6-4-3-5-7-15/h2-11,13H,1,12H2,(H,20,22)
InChIKeyTXDFMTJBDQZLMO-UHFFFAOYSA-N
MW336.42 g/mol
LogP4.63
Rot. Bonds6

About N-phenyl-2-(4-prop-2-enoxyphenyl)-1,3-thiazole-4-carboxamide

N-phenyl-2-(4-prop-2-enoxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 42865771) has the molecular formula C19H16N2O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is N-phenyl-2-(4-prop-2-enoxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-phenyl-2-(4-prop-2-enoxyphenyl)-1,3-thiazole-4-carboxamide
PubChem CID42865771
Molecular FormulaC19H16N2O2S
Molecular Weight336.42 g/mol
Exact Mass336.09
IUPAC NameN-phenyl-2-(4-prop-2-enoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESC=CCOc1ccc(-c2nc(C(=O)Nc3ccccc3)cs2)cc1
InChIInChI=1S/C19H16N2O2S/c1-2-12-23-16-10-8-14(9-11-16)19-21-17(13-24-19)18(22)20-15-6-4-3-5-7-15/h2-11,13H,1,12H2,(H,20,22)
InChIKeyTXDFMTJBDQZLMO-UHFFFAOYSA-N
XLogP4.63
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(2,6-difluorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide
CID 46065798
2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide
CID 42865866
2-[4-[(2,5-difluorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide
CID 46164959
N-(3-methoxyphenyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 83285381
N-(3-acetamidophenyl)-2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46547565
2-[4-(2-methylpropoxy)phenyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide
CID 46066049
prop-2-enyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate
CID 165153448
2-[3-[(4-chlorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide
CID 46066640
2-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide
CID 42865886
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-prop-2-enoxyphenyl)-1,3-thiazole-4-carboxamide
CID 42865772
2-[4-[(2-fluorophenyl)methoxy]phenyl]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 46067855
2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide
CID 46065953

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-(4-prop-2-enoxyphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-phenyl-2-(4-prop-2-enoxyphenyl)-1,3-thiazole-4-carboxamide (CID 42865771) is N-phenyl-2-(4-prop-2-enoxyphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-phenyl-2-(4-prop-2-enoxyphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-phenyl-2-(4-prop-2-enoxyphenyl)-1,3-thiazole-4-carboxamide is C=CCOc1ccc(-c2nc(C(=O)Nc3ccccc3)cs2)cc1.
What is the InChIKey of N-phenyl-2-(4-prop-2-enoxyphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is TXDFMTJBDQZLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2S/c1-2-12-23-16-10-8-14(9-11-16)19-21-17(13-24-19)18(22)20-15-6-4-3-5-7-15/h2-11,13H,1,12H2,(H,20,22).
What are the key properties of N-phenyl-2-(4-prop-2-enoxyphenyl)-1,3-thiazole-4-carboxamide?
N-phenyl-2-(4-prop-2-enoxyphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 336.42 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-(4-prop-2-enoxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 42865771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).