4-ethoxy-N-[4-[(4-fluorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]benzamide

C20H19FN2O2S2 — CID 16850089

IUPAC4-ethoxy-N-[4-[(4-fluorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]benzamide
SMILESCCOc1ccc(C(=O)Nc2nc(CSCc3ccc(F)cc3)cs2)cc1
InChIInChI=1S/C20H19FN2O2S2/c1-2-25-18-9-5-15(6-10-18)19(24)23-20-22-17(13-27-20)12-26-11-14-3-7-16(21)8-4-14/h3-10,13H,2,11-12H2,1H3,(H,22,23,24)
InChIKeyPSTNKHQUNCGPTE-UHFFFAOYSA-N
MW402.52 g/mol
LogP5.37
Rot. Bonds8

About 4-ethoxy-N-[4-[(4-fluorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]benzamide

4-ethoxy-N-[4-[(4-fluorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 16850089) has the molecular formula C20H19FN2O2S2 and a molecular weight of 402.52 g/mol. Its IUPAC name is 4-ethoxy-N-[4-[(4-fluorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[4-[(4-fluorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]benzamide
PubChem CID16850089
Molecular FormulaC20H19FN2O2S2
Molecular Weight402.52 g/mol
Exact Mass402.09
IUPAC Name4-ethoxy-N-[4-[(4-fluorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]benzamide
SMILESCCOc1ccc(C(=O)Nc2nc(CSCc3ccc(F)cc3)cs2)cc1
InChIInChI=1S/C20H19FN2O2S2/c1-2-25-18-9-5-15(6-10-18)19(24)23-20-22-17(13-27-20)12-26-11-14-3-7-16(21)8-4-14/h3-10,13H,2,11-12H2,1H3,(H,22,23,24)
InChIKeyPSTNKHQUNCGPTE-UHFFFAOYSA-N
XLogP5.37
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.52
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-butoxy-N-[4-[(4-fluorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]benzamide
CID 16850091
N-[4-[(4-fluorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 16850087
2-(4-fluorophenoxy)-N-[4-[(4-fluorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 16850140
2-bromo-N-[4-[(4-fluorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]benzamide
CID 16850106
N-[4-[(3,5-dimethoxyphenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]-4-methylbenzamide
CID 16850201
N-[4-[2-(2-ethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 41228611
N-[4-[3-(2-ethoxyanilino)-3-oxopropyl]-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 42208585
N-[4-[2-(4-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 41228555
4-fluoro-N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 41228449
4-tert-butyl-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 19173152
4-ethoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 42008522
N-[4-[(3,5-dimethoxyphenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 16850206

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[4-[(4-fluorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-ethoxy-N-[4-[(4-fluorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]benzamide (CID 16850089) is 4-ethoxy-N-[4-[(4-fluorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[4-[(4-fluorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-ethoxy-N-[4-[(4-fluorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]benzamide is CCOc1ccc(C(=O)Nc2nc(CSCc3ccc(F)cc3)cs2)cc1.
What is the InChIKey of 4-ethoxy-N-[4-[(4-fluorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is PSTNKHQUNCGPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2S2/c1-2-25-18-9-5-15(6-10-18)19(24)23-20-22-17(13-27-20)12-26-11-14-3-7-16(21)8-4-14/h3-10,13H,2,11-12H2,1H3,(H,22,23,24).
What are the key properties of 4-ethoxy-N-[4-[(4-fluorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]benzamide?
4-ethoxy-N-[4-[(4-fluorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 402.52 g/mol, XLogP of 5.37, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[4-[(4-fluorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 16850089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).