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

C20H18N2O2S — CID 42866947

IUPACN-methyl-N-phenyl-2-(3-prop-2-enoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESC=CCOc1cccc(-c2nc(C(=O)N(C)c3ccccc3)cs2)c1
InChIInChI=1S/C20H18N2O2S/c1-3-12-24-17-11-7-8-15(13-17)19-21-18(14-25-19)20(23)22(2)16-9-5-4-6-10-16/h3-11,13-14H,1,12H2,2H3
InChIKeyYTWQDXPOBMIDEU-UHFFFAOYSA-N
MW350.44 g/mol
LogP4.65
Rot. Bonds6

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

N-methyl-N-phenyl-2-(3-prop-2-enoxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 42866947) has the molecular formula C20H18N2O2S and a molecular weight of 350.44 g/mol. Its IUPAC name is N-methyl-N-phenyl-2-(3-prop-2-enoxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-phenyl-2-(3-prop-2-enoxyphenyl)-1,3-thiazole-4-carboxamide
PubChem CID42866947
Molecular FormulaC20H18N2O2S
Molecular Weight350.44 g/mol
Exact Mass350.11
IUPAC NameN-methyl-N-phenyl-2-(3-prop-2-enoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESC=CCOc1cccc(-c2nc(C(=O)N(C)c3ccccc3)cs2)c1
InChIInChI=1S/C20H18N2O2S/c1-3-12-24-17-11-7-8-15(13-17)19-21-18(14-25-19)20(23)22(2)16-9-5-4-6-10-16/h3-11,13-14H,1,12H2,2H3
InChIKeyYTWQDXPOBMIDEU-UHFFFAOYSA-N
XLogP4.65
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-methyl-N-phenyl-2-(3-prop-2-enoxyphenyl)-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenyl-N,N-bis(prop-2-enyl)-1,3-thiazole-4-carboxamide
CID 134022260
N,N-diethyl-2-(3-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 42866037
2-[4-[(3,4-difluorophenyl)methoxy]-3-methoxyphenyl]-N-methyl-N-phenyl-1,3-thiazole-4-carboxamide
CID 46067991
N-ethyl-N-methyl-2-(3-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide
CID 46066531
methyl 2-(3-phenylmethoxyphenyl)-1,3-thiazole-4-carboxylate
CID 169498475
2-[3-[2-(diethylamino)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 22686120
2-[3-[(3,4-difluorophenyl)methoxy]phenyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide
CID 46066607
N-methyl-2-[3-[(3-methylphenyl)methoxy]phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 46068053
2-[3-[(3-chlorophenyl)methoxy]phenyl]-N-ethyl-N-methyl-1,3-thiazole-4-carboxamide
CID 42866055
2-[3-[(2,6-difluorophenyl)methoxy]phenyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide
CID 46066583
N,2-dimethyl-N-phenyl-1,3-thiazole-4-carboxamide
CID 110649635
N-phenyl-2-(4-prop-2-enoxyphenyl)-1,3-thiazole-4-carboxamide
CID 42865771

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-2-(3-prop-2-enoxyphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-methyl-N-phenyl-2-(3-prop-2-enoxyphenyl)-1,3-thiazole-4-carboxamide (CID 42866947) is N-methyl-N-phenyl-2-(3-prop-2-enoxyphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-methyl-N-phenyl-2-(3-prop-2-enoxyphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-methyl-N-phenyl-2-(3-prop-2-enoxyphenyl)-1,3-thiazole-4-carboxamide is C=CCOc1cccc(-c2nc(C(=O)N(C)c3ccccc3)cs2)c1.
What is the InChIKey of N-methyl-N-phenyl-2-(3-prop-2-enoxyphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is YTWQDXPOBMIDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2S/c1-3-12-24-17-11-7-8-15(13-17)19-21-18(14-25-19)20(23)22(2)16-9-5-4-6-10-16/h3-11,13-14H,1,12H2,2H3.
What are the key properties of N-methyl-N-phenyl-2-(3-prop-2-enoxyphenyl)-1,3-thiazole-4-carboxamide?
N-methyl-N-phenyl-2-(3-prop-2-enoxyphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 350.44 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-2-(3-prop-2-enoxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 42866947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).