4-(4-fluorophenyl)-5-(1,3-thiazol-5-ylmethoxy)pyridine-2-carboxamide

C16H12FN3O2S — CID 122539741

IUPAC4-(4-fluorophenyl)-5-(1,3-thiazol-5-ylmethoxy)pyridine-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)cc2)c(OCc2cncs2)cn1
InChIInChI=1S/C16H12FN3O2S/c17-11-3-1-10(2-4-11)13-5-14(16(18)21)20-7-15(13)22-8-12-6-19-9-23-12/h1-7,9H,8H2,(H2,18,21)
InChIKeyNYSBMRXWWLXZJU-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.02
Rot. Bonds5

About 4-(4-fluorophenyl)-5-(1,3-thiazol-5-ylmethoxy)pyridine-2-carboxamide

4-(4-fluorophenyl)-5-(1,3-thiazol-5-ylmethoxy)pyridine-2-carboxamide (PubChem CID 122539741) has the molecular formula C16H12FN3O2S and a molecular weight of 329.36 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-(1,3-thiazol-5-ylmethoxy)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-(1,3-thiazol-5-ylmethoxy)pyridine-2-carboxamide
PubChem CID122539741
Molecular FormulaC16H12FN3O2S
Molecular Weight329.36 g/mol
Exact Mass329.06
IUPAC Name4-(4-fluorophenyl)-5-(1,3-thiazol-5-ylmethoxy)pyridine-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)cc2)c(OCc2cncs2)cn1
InChIInChI=1S/C16H12FN3O2S/c17-11-3-1-10(2-4-11)13-5-14(16(18)21)20-7-15(13)22-8-12-6-19-9-23-12/h1-7,9H,8H2,(H2,18,21)
InChIKeyNYSBMRXWWLXZJU-UHFFFAOYSA-N
XLogP3.02
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-Benzyloxy-pyridine-2-carboxylic acid thiazol-2-ylamide
CID 44391629
4-(4-Fluorophenyl)-5-[(1-methylpyrazol-3-yl)methoxy]pyridine-2-carboxamide
CID 122539788
Phenyl-acetic acid 2-(thiazol-2-ylcarbamoyl)-pyridin-3-yl ester
CID 10882328
3-Fluoro-benzoic acid 2-(thiazol-2-ylcarbamoyl)-pyridin-3-yl ester
CID 10980829
2-Fluoro-benzoic acid 2-(thiazol-2-ylcarbamoyl)-pyridin-3-yl ester
CID 11089176
Myc-IN-2
CID 145985805
7-(4-Fluorophenyl)-2-[(6-fluoro-3-pyridinyl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide
CID 155515940
7-(4-Fluorophenyl)-2-[(6-methyl-3-pyridinyl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide
CID 155551226
7-(4-Fluorophenyl)-2-[(2-methyl-3-pyridinyl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide
CID 155564600
Benzoic acid 2-(thiazol-2-ylcarbamoyl)-pyridin-3-yl ester
CID 10236724
4-Fluoro-benzoic acid 2-(thiazol-2-ylcarbamoyl)-pyridin-3-yl ester
CID 10925947
6-(3-Chloro-phenyl)-5-methoxy-pyridine-2-carboxylic acid (1-methyl-1-thiazol-2-yl-ethyl)-amide
CID 71105585

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-(1,3-thiazol-5-ylmethoxy)pyridine-2-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-5-(1,3-thiazol-5-ylmethoxy)pyridine-2-carboxamide (CID 122539741) is 4-(4-fluorophenyl)-5-(1,3-thiazol-5-ylmethoxy)pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-5-(1,3-thiazol-5-ylmethoxy)pyridine-2-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-5-(1,3-thiazol-5-ylmethoxy)pyridine-2-carboxamide is NC(=O)c1cc(-c2ccc(F)cc2)c(OCc2cncs2)cn1.
What is the InChIKey of 4-(4-fluorophenyl)-5-(1,3-thiazol-5-ylmethoxy)pyridine-2-carboxamide?
The InChIKey is NYSBMRXWWLXZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O2S/c17-11-3-1-10(2-4-11)13-5-14(16(18)21)20-7-15(13)22-8-12-6-19-9-23-12/h1-7,9H,8H2,(H2,18,21).
What are the key properties of 4-(4-fluorophenyl)-5-(1,3-thiazol-5-ylmethoxy)pyridine-2-carboxamide?
4-(4-fluorophenyl)-5-(1,3-thiazol-5-ylmethoxy)pyridine-2-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-(1,3-thiazol-5-ylmethoxy)pyridine-2-carboxamide is sourced from PubChem (CID 122539741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).