N-(2-ethylphenyl)-N-[4-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide

C20H19FN2OS2 — CID 8788294

IUPACN-(2-ethylphenyl)-N-[4-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
SMILESCCc1ccccc1N(C(C)=O)c1nc(CSc2ccc(F)cc2)cs1
InChIInChI=1S/C20H19FN2OS2/c1-3-15-6-4-5-7-19(15)23(14(2)24)20-22-17(13-26-20)12-25-18-10-8-16(21)9-11-18/h4-11,13H,3,12H2,1-2H3
InChIKeyRQMMOYZSFZZBIH-UHFFFAOYSA-N
MW386.52 g/mol
LogP5.82
Rot. Bonds6

About N-(2-ethylphenyl)-N-[4-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide

N-(2-ethylphenyl)-N-[4-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 8788294) has the molecular formula C20H19FN2OS2 and a molecular weight of 386.52 g/mol. Its IUPAC name is N-(2-ethylphenyl)-N-[4-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-N-[4-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
PubChem CID8788294
Molecular FormulaC20H19FN2OS2
Molecular Weight386.52 g/mol
Exact Mass386.09
IUPAC NameN-(2-ethylphenyl)-N-[4-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
SMILESCCc1ccccc1N(C(C)=O)c1nc(CSc2ccc(F)cc2)cs1
InChIInChI=1S/C20H19FN2OS2/c1-3-15-6-4-5-7-19(15)23(14(2)24)20-22-17(13-26-20)12-25-18-10-8-16(21)9-11-18/h4-11,13H,3,12H2,1-2H3
InChIKeyRQMMOYZSFZZBIH-UHFFFAOYSA-N
XLogP5.82
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.52
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-N-[4-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-(2-ethylphenyl)-N-[4-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide (CID 8788294) is N-(2-ethylphenyl)-N-[4-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-N-[4-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-N-[4-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide is CCc1ccccc1N(C(C)=O)c1nc(CSc2ccc(F)cc2)cs1.
What is the InChIKey of N-(2-ethylphenyl)-N-[4-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is RQMMOYZSFZZBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2OS2/c1-3-15-6-4-5-7-19(15)23(14(2)24)20-22-17(13-26-20)12-25-18-10-8-16(21)9-11-18/h4-11,13H,3,12H2,1-2H3.
What are the key properties of N-(2-ethylphenyl)-N-[4-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide?
N-(2-ethylphenyl)-N-[4-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 386.52 g/mol, XLogP of 5.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-N-[4-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 8788294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).