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

C19H18FN3O2S — CID 27377880

IUPAC2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)Cc1csc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C19H18FN3O2S/c1-25-17-5-3-2-4-13(17)11-21-18(24)10-16-12-26-19(23-16)22-15-8-6-14(20)7-9-15/h2-9,12H,10-11H2,1H3,(H,21,24)(H,22,23)
InChIKeyBZRVWBIJRGOMJV-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.89
Rot. Bonds7

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

2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 27377880) has the molecular formula C19H18FN3O2S and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID27377880
Molecular FormulaC19H18FN3O2S
Molecular Weight371.44 g/mol
Exact Mass371.11
IUPAC Name2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)Cc1csc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C19H18FN3O2S/c1-25-17-5-3-2-4-13(17)11-21-18(24)10-16-12-26-19(23-16)22-15-8-6-14(20)7-9-15/h2-9,12H,10-11H2,1H3,(H,21,24)(H,22,23)
InChIKeyBZRVWBIJRGOMJV-UHFFFAOYSA-N
XLogP3.89
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.89
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-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide (CID 27377880) is 2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide is COc1ccccc1CNC(=O)Cc1csc(Nc2ccc(F)cc2)n1.
What is the InChIKey of 2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is BZRVWBIJRGOMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2S/c1-25-17-5-3-2-4-13(17)11-21-18(24)10-16-12-26-19(23-16)22-15-8-6-14(20)7-9-15/h2-9,12H,10-11H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide?
2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 371.44 g/mol, XLogP of 3.89, 7 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-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 27377880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).