2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide

C16H12FN3OS — CID 24512523

IUPAC2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccccn1)c1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C16H12FN3OS/c17-12-6-4-11(5-7-12)16-20-14(10-22-16)15(21)19-9-13-3-1-2-8-18-13/h1-8,10H,9H2,(H,19,21)
InChIKeyVOCQVDYWBJKQSZ-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.27
Rot. Bonds4

About 2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide

2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 24512523) has the molecular formula C16H12FN3OS and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
PubChem CID24512523
Molecular FormulaC16H12FN3OS
Molecular Weight313.36 g/mol
Exact Mass313.07
IUPAC Name2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccccn1)c1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C16H12FN3OS/c17-12-6-4-11(5-7-12)16-20-14(10-22-16)15(21)19-9-13-3-1-2-8-18-13/h1-8,10H,9H2,(H,19,21)
InChIKeyVOCQVDYWBJKQSZ-UHFFFAOYSA-N
XLogP3.27
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide
CID 78854756
2-(aminomethyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 66377414
N-[2-(4-fluorophenyl)ethyl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 48846789
2-(4-fluorophenyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 9318883
2-[4-[(2-chlorophenyl)methoxy]phenyl]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 46065796
N-[(4-fluorophenyl)methyl]-N'-(pyridin-2-ylmethyl)propanediamide
CID 108946374
N-benzyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 9191739
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 78791822
2-[4-[(4-fluorophenyl)methoxy]phenyl]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 46065670
5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 32977659
N-[2-[(4-fluorobenzoyl)amino]ethyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 86832956
2-(4-ethoxyphenyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 55783786

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide (CID 24512523) is 2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide is O=C(NCc1ccccn1)c1csc(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is VOCQVDYWBJKQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3OS/c17-12-6-4-11(5-7-12)16-20-14(10-22-16)15(21)19-9-13-3-1-2-8-18-13/h1-8,10H,9H2,(H,19,21).
What are the key properties of 2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide?
2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 24512523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).