2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-(pyridin-3-ylmethyl)acetamide

C17H15FN4OS — CID 27377838

IUPAC2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(Cc1csc(Nc2ccc(F)cc2)n1)NCc1cccnc1
InChIInChI=1S/C17H15FN4OS/c18-13-3-5-14(6-4-13)21-17-22-15(11-24-17)8-16(23)20-10-12-2-1-7-19-9-12/h1-7,9,11H,8,10H2,(H,20,23)(H,21,22)
InChIKeyJOORWJNGZWABOE-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.28
Rot. Bonds6

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

2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 27377838) has the molecular formula C17H15FN4OS and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID27377838
Molecular FormulaC17H15FN4OS
Molecular Weight342.40 g/mol
Exact Mass342.10
IUPAC Name2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(Cc1csc(Nc2ccc(F)cc2)n1)NCc1cccnc1
InChIInChI=1S/C17H15FN4OS/c18-13-3-5-14(6-4-13)21-17-22-15(11-24-17)8-16(23)20-10-12-2-1-7-19-9-12/h1-7,9,11H,8,10H2,(H,20,23)(H,21,22)
InChIKeyJOORWJNGZWABOE-UHFFFAOYSA-N
XLogP3.28
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.28
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-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-(pyridin-3-ylmethyl)acetamide (CID 27377838) is 2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-(pyridin-3-ylmethyl)acetamide is O=C(Cc1csc(Nc2ccc(F)cc2)n1)NCc1cccnc1.
What is the InChIKey of 2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is JOORWJNGZWABOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4OS/c18-13-3-5-14(6-4-13)21-17-22-15(11-24-17)8-16(23)20-10-12-2-1-7-19-9-12/h1-7,9,11H,8,10H2,(H,20,23)(H,21,22).
What are the key properties of 2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-(pyridin-3-ylmethyl)acetamide?
2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 342.40 g/mol, XLogP of 3.28, 6 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-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 27377838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).