2-(5-fluoro-3-pyridinyl)-4-methyl-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-5-carboxamide

C15H12FN5OS — CID 44544588

IUPAC2-(5-fluoro-3-pyridinyl)-4-methyl-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cncc(F)c2)sc1C(=O)NCc1ncccn1
InChIInChI=1S/C15H12FN5OS/c1-9-13(14(22)20-8-12-18-3-2-4-19-12)23-15(21-9)10-5-11(16)7-17-6-10/h2-7H,8H2,1H3,(H,20,22)
InChIKeyHFVSOVDEGUQZEW-UHFFFAOYSA-N
MW329.36 g/mol
LogP2.37
Rot. Bonds4

About 2-(5-fluoro-3-pyridinyl)-4-methyl-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-5-carboxamide

2-(5-fluoro-3-pyridinyl)-4-methyl-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 44544588) has the molecular formula C15H12FN5OS and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-(5-fluoro-3-pyridinyl)-4-methyl-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(5-fluoro-3-pyridinyl)-4-methyl-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID44544588
Molecular FormulaC15H12FN5OS
Molecular Weight329.36 g/mol
Exact Mass329.07
IUPAC Name2-(5-fluoro-3-pyridinyl)-4-methyl-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cncc(F)c2)sc1C(=O)NCc1ncccn1
InChIInChI=1S/C15H12FN5OS/c1-9-13(14(22)20-8-12-18-3-2-4-19-12)23-15(21-9)10-5-11(16)7-17-6-10/h2-7H,8H2,1H3,(H,20,22)
InChIKeyHFVSOVDEGUQZEW-UHFFFAOYSA-N
XLogP2.37
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-3-pyridinyl)-4-methyl-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(5-fluoro-3-pyridinyl)-4-methyl-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-5-carboxamide (CID 44544588) is 2-(5-fluoro-3-pyridinyl)-4-methyl-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(5-fluoro-3-pyridinyl)-4-methyl-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(5-fluoro-3-pyridinyl)-4-methyl-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-5-carboxamide is Cc1nc(-c2cncc(F)c2)sc1C(=O)NCc1ncccn1.
What is the InChIKey of 2-(5-fluoro-3-pyridinyl)-4-methyl-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is HFVSOVDEGUQZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN5OS/c1-9-13(14(22)20-8-12-18-3-2-4-19-12)23-15(21-9)10-5-11(16)7-17-6-10/h2-7H,8H2,1H3,(H,20,22).
What are the key properties of 2-(5-fluoro-3-pyridinyl)-4-methyl-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-5-carboxamide?
2-(5-fluoro-3-pyridinyl)-4-methyl-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-3-pyridinyl)-4-methyl-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 44544588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).