2-[3-[(3,4-difluorophenyl)methoxy]phenyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide

C20H16F2N2O2S — CID 46066607

IUPAC2-[3-[(3,4-difluorophenyl)methoxy]phenyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide
SMILESC=CCNC(=O)c1csc(-c2cccc(OCc3ccc(F)c(F)c3)c2)n1
InChIInChI=1S/C20H16F2N2O2S/c1-2-8-23-19(25)18-12-27-20(24-18)14-4-3-5-15(10-14)26-11-13-6-7-16(21)17(22)9-13/h2-7,9-10,12H,1,8,11H2,(H,23,25)
InChIKeyMOZZSUFPVHMRSD-UHFFFAOYSA-N
MW386.42 g/mol
LogP4.58
Rot. Bonds7

About 2-[3-[(3,4-difluorophenyl)methoxy]phenyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide

2-[3-[(3,4-difluorophenyl)methoxy]phenyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide (PubChem CID 46066607) has the molecular formula C20H16F2N2O2S and a molecular weight of 386.42 g/mol. Its IUPAC name is 2-[3-[(3,4-difluorophenyl)methoxy]phenyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[3-[(3,4-difluorophenyl)methoxy]phenyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide
PubChem CID46066607
Molecular FormulaC20H16F2N2O2S
Molecular Weight386.42 g/mol
Exact Mass386.09
IUPAC Name2-[3-[(3,4-difluorophenyl)methoxy]phenyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide
SMILESC=CCNC(=O)c1csc(-c2cccc(OCc3ccc(F)c(F)c3)c2)n1
InChIInChI=1S/C20H16F2N2O2S/c1-2-8-23-19(25)18-12-27-20(24-18)14-4-3-5-15(10-14)26-11-13-6-7-16(21)17(22)9-13/h2-7,9-10,12H,1,8,11H2,(H,23,25)
InChIKeyMOZZSUFPVHMRSD-UHFFFAOYSA-N
XLogP4.58
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 54.58
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-[3-[(2,6-difluorophenyl)methoxy]phenyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide
CID 46066583
2-[3-[(3,4-difluorophenyl)methoxy]phenyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46066606
2-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide
CID 42865886
2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide
CID 46065953
2-[4-[(3,4-difluorophenyl)methoxy]phenyl]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 46065856
2-[3-[(4-chlorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide
CID 46066640
2-[4-[(3,4-difluorophenyl)methoxy]phenyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 46065850
2-[3-[(2-fluorophenyl)methoxy]phenyl]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 46066422
2-[3-[(2-fluorophenyl)methoxy]phenyl]-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46066403
N-cyclopropyl-2-[3-[(3-fluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 46066573
N-(2-fluorophenyl)-2-[3-[(3-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 42866958
N-(pyridin-4-ylmethyl)-2-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 46066387

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3,4-difluorophenyl)methoxy]phenyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[3-[(3,4-difluorophenyl)methoxy]phenyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide (CID 46066607) is 2-[3-[(3,4-difluorophenyl)methoxy]phenyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[3-[(3,4-difluorophenyl)methoxy]phenyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[3-[(3,4-difluorophenyl)methoxy]phenyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide is C=CCNC(=O)c1csc(-c2cccc(OCc3ccc(F)c(F)c3)c2)n1.
What is the InChIKey of 2-[3-[(3,4-difluorophenyl)methoxy]phenyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide?
The InChIKey is MOZZSUFPVHMRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N2O2S/c1-2-8-23-19(25)18-12-27-20(24-18)14-4-3-5-15(10-14)26-11-13-6-7-16(21)17(22)9-13/h2-7,9-10,12H,1,8,11H2,(H,23,25).
What are the key properties of 2-[3-[(3,4-difluorophenyl)methoxy]phenyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide?
2-[3-[(3,4-difluorophenyl)methoxy]phenyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide has a molecular weight of 386.42 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3,4-difluorophenyl)methoxy]phenyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46066607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).