2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-N-(3-hydroxy-2-pyridinyl)acetamide

C17H14FN3O2S — CID 48691190

IUPAC2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-N-(3-hydroxy-2-pyridinyl)acetamide
SMILESO=C(Cc1csc(Cc2ccc(F)cc2)n1)Nc1ncccc1O
InChIInChI=1S/C17H14FN3O2S/c18-12-5-3-11(4-6-12)8-16-20-13(10-24-16)9-15(23)21-17-14(22)2-1-7-19-17/h1-7,10,22H,8-9H2,(H,19,21,23)
InChIKeyQKBDCLADUCUBJJ-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.15
Rot. Bonds5

About 2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-N-(3-hydroxy-2-pyridinyl)acetamide

2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-N-(3-hydroxy-2-pyridinyl)acetamide (PubChem CID 48691190) has the molecular formula C17H14FN3O2S and a molecular weight of 343.38 g/mol. Its IUPAC name is 2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-N-(3-hydroxy-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-N-(3-hydroxy-2-pyridinyl)acetamide
PubChem CID48691190
Molecular FormulaC17H14FN3O2S
Molecular Weight343.38 g/mol
Exact Mass343.08
IUPAC Name2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-N-(3-hydroxy-2-pyridinyl)acetamide
SMILESO=C(Cc1csc(Cc2ccc(F)cc2)n1)Nc1ncccc1O
InChIInChI=1S/C17H14FN3O2S/c18-12-5-3-11(4-6-12)8-16-20-13(10-24-16)9-15(23)21-17-14(22)2-1-7-19-17/h1-7,10,22H,8-9H2,(H,19,21,23)
InChIKeyQKBDCLADUCUBJJ-UHFFFAOYSA-N
XLogP3.15
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-N-(3-hydroxy-2-pyridinyl)acetamide?
The IUPAC name of 2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-N-(3-hydroxy-2-pyridinyl)acetamide (CID 48691190) is 2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-N-(3-hydroxy-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-N-(3-hydroxy-2-pyridinyl)acetamide?
The canonical SMILES for 2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-N-(3-hydroxy-2-pyridinyl)acetamide is O=C(Cc1csc(Cc2ccc(F)cc2)n1)Nc1ncccc1O.
What is the InChIKey of 2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-N-(3-hydroxy-2-pyridinyl)acetamide?
The InChIKey is QKBDCLADUCUBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2S/c18-12-5-3-11(4-6-12)8-16-20-13(10-24-16)9-15(23)21-17-14(22)2-1-7-19-17/h1-7,10,22H,8-9H2,(H,19,21,23).
What are the key properties of 2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-N-(3-hydroxy-2-pyridinyl)acetamide?
2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-N-(3-hydroxy-2-pyridinyl)acetamide has a molecular weight of 343.38 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-N-(3-hydroxy-2-pyridinyl)acetamide is sourced from PubChem (CID 48691190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).