2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-pyridin-2-ylacetamide

C16H12FN3OS2 — CID 2030686

IUPAC2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-pyridin-2-ylacetamide
SMILESO=C(CSc1nc(-c2ccc(F)cc2)cs1)Nc1ccccn1
InChIInChI=1S/C16H12FN3OS2/c17-12-6-4-11(5-7-12)13-9-22-16(19-13)23-10-15(21)20-14-3-1-2-8-18-14/h1-9H,10H2,(H,18,20,21)
InChIKeyZPWYTGYTGKRUPY-UHFFFAOYSA-N
MW345.42 g/mol
LogP4.07
Rot. Bonds5

About 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-pyridin-2-ylacetamide

2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-pyridin-2-ylacetamide (PubChem CID 2030686) has the molecular formula C16H12FN3OS2 and a molecular weight of 345.42 g/mol. Its IUPAC name is 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-pyridin-2-ylacetamide
PubChem CID2030686
Molecular FormulaC16H12FN3OS2
Molecular Weight345.42 g/mol
Exact Mass345.04
IUPAC Name2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-pyridin-2-ylacetamide
SMILESO=C(CSc1nc(-c2ccc(F)cc2)cs1)Nc1ccccn1
InChIInChI=1S/C16H12FN3OS2/c17-12-6-4-11(5-7-12)13-9-22-16(19-13)23-10-15(21)20-14-3-1-2-8-18-14/h1-9H,10H2,(H,18,20,21)
InChIKeyZPWYTGYTGKRUPY-UHFFFAOYSA-N
XLogP4.07
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-pyridin-2-ylacetamide?
The IUPAC name of 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-pyridin-2-ylacetamide (CID 2030686) is 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-pyridin-2-ylacetamide is O=C(CSc1nc(-c2ccc(F)cc2)cs1)Nc1ccccn1.
What is the InChIKey of 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-pyridin-2-ylacetamide?
The InChIKey is ZPWYTGYTGKRUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3OS2/c17-12-6-4-11(5-7-12)13-9-22-16(19-13)23-10-15(21)20-14-3-1-2-8-18-14/h1-9H,10H2,(H,18,20,21).
What are the key properties of 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-pyridin-2-ylacetamide?
2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-pyridin-2-ylacetamide has a molecular weight of 345.42 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-pyridin-2-ylacetamide is sourced from PubChem (CID 2030686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).