N-[(3-fluorophenyl)methyl]-2-(3-prop-2-enoxyphenyl)-1,3-thiazole-4-carboxamide

C20H17FN2O2S — CID 46066457

IUPACN-[(3-fluorophenyl)methyl]-2-(3-prop-2-enoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESC=CCOc1cccc(-c2nc(C(=O)NCc3cccc(F)c3)cs2)c1
InChIInChI=1S/C20H17FN2O2S/c1-2-9-25-17-8-4-6-15(11-17)20-23-18(13-26-20)19(24)22-12-14-5-3-7-16(21)10-14/h2-8,10-11,13H,1,9,12H2,(H,22,24)
InChIKeyXXUQPNZXLRQZBF-UHFFFAOYSA-N
MW368.43 g/mol
LogP4.44
Rot. Bonds7

About N-[(3-fluorophenyl)methyl]-2-(3-prop-2-enoxyphenyl)-1,3-thiazole-4-carboxamide

N-[(3-fluorophenyl)methyl]-2-(3-prop-2-enoxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 46066457) has the molecular formula C20H17FN2O2S and a molecular weight of 368.43 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-2-(3-prop-2-enoxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-2-(3-prop-2-enoxyphenyl)-1,3-thiazole-4-carboxamide
PubChem CID46066457
Molecular FormulaC20H17FN2O2S
Molecular Weight368.43 g/mol
Exact Mass368.10
IUPAC NameN-[(3-fluorophenyl)methyl]-2-(3-prop-2-enoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESC=CCOc1cccc(-c2nc(C(=O)NCc3cccc(F)c3)cs2)c1
InChIInChI=1S/C20H17FN2O2S/c1-2-9-25-17-8-4-6-15(11-17)20-23-18(13-26-20)19(24)22-12-14-5-3-7-16(21)10-14/h2-8,10-11,13H,1,9,12H2,(H,22,24)
InChIKeyXXUQPNZXLRQZBF-UHFFFAOYSA-N
XLogP4.44
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 54.44
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

N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 155755083
N-{2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl}-N'-(2-methoxyphenyl)ethanediamide
CID 7216680
N-(4-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 1472610
N,2-bis[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 1472618
N-[(2-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 1472640
[2-(4-Methoxybenzyl)-1,3-thiazol-4-yl](piperidino)methanone
CID 1472641
2-benzyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3428654
2-(2''-(Trifluoromethoxy)biphenyl-3-yl)thiazole-4-carboxamide
CID 11187635
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-[3-oxo-1-(3-phenoxybenzyl)-2-piperazinyl]acetamide
CID 16190462
2-[3-oxo-1-(3-phenoxybenzyl)piperazin-2-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
CID 16191758
2-butoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide
CID 23613053
2-(Methoxycarbonyl(3-((2-(4-(trifluoromethyl)phenyl)thiazol-4-yl)methoxy)benzyl)amino)acetic acid
CID 24875337

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-2-(3-prop-2-enoxyphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-2-(3-prop-2-enoxyphenyl)-1,3-thiazole-4-carboxamide (CID 46066457) is N-[(3-fluorophenyl)methyl]-2-(3-prop-2-enoxyphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-2-(3-prop-2-enoxyphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-2-(3-prop-2-enoxyphenyl)-1,3-thiazole-4-carboxamide is C=CCOc1cccc(-c2nc(C(=O)NCc3cccc(F)c3)cs2)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-2-(3-prop-2-enoxyphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is XXUQPNZXLRQZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O2S/c1-2-9-25-17-8-4-6-15(11-17)20-23-18(13-26-20)19(24)22-12-14-5-3-7-16(21)10-14/h2-8,10-11,13H,1,9,12H2,(H,22,24).
What are the key properties of N-[(3-fluorophenyl)methyl]-2-(3-prop-2-enoxyphenyl)-1,3-thiazole-4-carboxamide?
N-[(3-fluorophenyl)methyl]-2-(3-prop-2-enoxyphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 368.43 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-2-(3-prop-2-enoxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46066457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).