N-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-6-methylpyridine-3-carboxamide

C16H14FN3O2S — CID 45028975

IUPACN-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NN2C(=O)CSC2c2ccc(F)cc2)cn1
InChIInChI=1S/C16H14FN3O2S/c1-10-2-3-12(8-18-10)15(22)19-20-14(21)9-23-16(20)11-4-6-13(17)7-5-11/h2-8,16H,9H2,1H3,(H,19,22)
InChIKeyYDDAUCKYGHSFFD-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.45
Rot. Bonds3

About N-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-6-methylpyridine-3-carboxamide

N-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-6-methylpyridine-3-carboxamide (PubChem CID 45028975) has the molecular formula C16H14FN3O2S and a molecular weight of 331.37 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-6-methylpyridine-3-carboxamide
PubChem CID45028975
Molecular FormulaC16H14FN3O2S
Molecular Weight331.37 g/mol
Exact Mass331.08
IUPAC NameN-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NN2C(=O)CSC2c2ccc(F)cc2)cn1
InChIInChI=1S/C16H14FN3O2S/c1-10-2-3-12(8-18-10)15(22)19-20-14(21)9-23-16(20)11-4-6-13(17)7-5-11/h2-8,16H,9H2,1H3,(H,19,22)
InChIKeyYDDAUCKYGHSFFD-UHFFFAOYSA-N
XLogP2.45
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-6-methylpyridine-3-carboxamide (CID 45028975) is N-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)NN2C(=O)CSC2c2ccc(F)cc2)cn1.
What is the InChIKey of N-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-6-methylpyridine-3-carboxamide?
The InChIKey is YDDAUCKYGHSFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2S/c1-10-2-3-12(8-18-10)15(22)19-20-14(21)9-23-16(20)11-4-6-13(17)7-5-11/h2-8,16H,9H2,1H3,(H,19,22).
What are the key properties of N-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-6-methylpyridine-3-carboxamide?
N-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-6-methylpyridine-3-carboxamide has a molecular weight of 331.37 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 45028975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).