N-[1-(4-fluorophenyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide

C20H19FN2O2S — CID 46643901

IUPACN-[1-(4-fluorophenyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
SMILESCc1nc(COc2cccc(C(=O)NC(C)c3ccc(F)cc3)c2)cs1
InChIInChI=1S/C20H19FN2O2S/c1-13(15-6-8-17(21)9-7-15)22-20(24)16-4-3-5-19(10-16)25-11-18-12-26-14(2)23-18/h3-10,12-13H,11H2,1-2H3,(H,22,24)
InChIKeyPDZNMSGOZUMQEL-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.66
Rot. Bonds6

About N-[1-(4-fluorophenyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide

N-[1-(4-fluorophenyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide (PubChem CID 46643901) has the molecular formula C20H19FN2O2S and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
PubChem CID46643901
Molecular FormulaC20H19FN2O2S
Molecular Weight370.45 g/mol
Exact Mass370.12
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
SMILESCc1nc(COc2cccc(C(=O)NC(C)c3ccc(F)cc3)c2)cs1
InChIInChI=1S/C20H19FN2O2S/c1-13(15-6-8-17(21)9-7-15)22-20(24)16-4-3-5-19(10-16)25-11-18-12-26-14(2)23-18/h3-10,12-13H,11H2,1-2H3,(H,22,24)
InChIKeyPDZNMSGOZUMQEL-UHFFFAOYSA-N
XLogP4.66
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,4-difluorophenyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 46643860
3-[[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]butanoic acid
CID 119221411
N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 55806616
[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl] 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
CID 46646103
N-[1-(4-ethoxyphenyl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 55473945
N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 60568835
3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-phenylpropyl)benzamide
CID 55445874
3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide
CID 92519851
N-(2-fluorophenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 17486337
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 46655596
N-(2-methyl-6-propan-2-ylphenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 26649681
N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 46647075

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide (CID 46643901) is N-[1-(4-fluorophenyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide is Cc1nc(COc2cccc(C(=O)NC(C)c3ccc(F)cc3)c2)cs1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
The InChIKey is PDZNMSGOZUMQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2S/c1-13(15-6-8-17(21)9-7-15)22-20(24)16-4-3-5-19(10-16)25-11-18-12-26-14(2)23-18/h3-10,12-13H,11H2,1-2H3,(H,22,24).
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
N-[1-(4-fluorophenyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide has a molecular weight of 370.45 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide is sourced from PubChem (CID 46643901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).