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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Related Compounds

CID 704473
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CID 203433
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CID 46209426
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CID 790259
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CID 750531
CID 750531
CID 973066
CID 973066
CID 746667
CID 746667
CID 4119262
CID 4119262
CID 9996476
CID 9996476
CID 10171950
CID 10171950
CID 10308615
CID 10308615
CID 10359005
CID 10359005

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).