2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide

C20H20FN3O2S — CID 27377846

IUPAC2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1CCNC(=O)Cc1csc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C20H20FN3O2S/c1-26-18-5-3-2-4-14(18)10-11-22-19(25)12-17-13-27-20(24-17)23-16-8-6-15(21)7-9-16/h2-9,13H,10-12H2,1H3,(H,22,25)(H,23,24)
InChIKeyRWHFNFFYGIKNHW-UHFFFAOYSA-N
MW385.46 g/mol
LogP3.94
Rot. Bonds8

About 2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide

2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide (PubChem CID 27377846) has the molecular formula C20H20FN3O2S and a molecular weight of 385.46 g/mol. Its IUPAC name is 2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide
PubChem CID27377846
Molecular FormulaC20H20FN3O2S
Molecular Weight385.46 g/mol
Exact Mass385.13
IUPAC Name2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1CCNC(=O)Cc1csc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C20H20FN3O2S/c1-26-18-5-3-2-4-14(18)10-11-22-19(25)12-17-13-27-20(24-17)23-16-8-6-15(21)7-9-16/h2-9,13H,10-12H2,1H3,(H,22,25)(H,23,24)
InChIKeyRWHFNFFYGIKNHW-UHFFFAOYSA-N
XLogP3.94
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide (CID 27377846) is 2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide is COc1ccccc1CCNC(=O)Cc1csc(Nc2ccc(F)cc2)n1.
What is the InChIKey of 2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide?
The InChIKey is RWHFNFFYGIKNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2S/c1-26-18-5-3-2-4-14(18)10-11-22-19(25)12-17-13-27-20(24-17)23-16-8-6-15(21)7-9-16/h2-9,13H,10-12H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide?
2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide has a molecular weight of 385.46 g/mol, XLogP of 3.94, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 27377846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).