2-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridine-4-carboxamide

C11H10FN3OS — CID 55011780

IUPAC2-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridine-4-carboxamide
SMILESCN(Cc1cscn1)C(=O)c1ccnc(F)c1
InChIInChI=1S/C11H10FN3OS/c1-15(5-9-6-17-7-14-9)11(16)8-2-3-13-10(12)4-8/h2-4,6-7H,5H2,1H3
InChIKeyXDUXNBGXNSCSGV-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.95
Rot. Bonds3

About 2-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridine-4-carboxamide

2-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridine-4-carboxamide (PubChem CID 55011780) has the molecular formula C11H10FN3OS and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridine-4-carboxamide
PubChem CID55011780
Molecular FormulaC11H10FN3OS
Molecular Weight251.29 g/mol
Exact Mass251.05
IUPAC Name2-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridine-4-carboxamide
SMILESCN(Cc1cscn1)C(=O)c1ccnc(F)c1
InChIInChI=1S/C11H10FN3OS/c1-15(5-9-6-17-7-14-9)11(16)8-2-3-13-10(12)4-8/h2-4,6-7H,5H2,1H3
InChIKeyXDUXNBGXNSCSGV-UHFFFAOYSA-N
XLogP1.95
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridine-4-carboxamide (CID 55011780) is 2-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridine-4-carboxamide is CN(Cc1cscn1)C(=O)c1ccnc(F)c1.
What is the InChIKey of 2-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridine-4-carboxamide?
The InChIKey is XDUXNBGXNSCSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3OS/c1-15(5-9-6-17-7-14-9)11(16)8-2-3-13-10(12)4-8/h2-4,6-7H,5H2,1H3.
What are the key properties of 2-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridine-4-carboxamide?
2-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridine-4-carboxamide has a molecular weight of 251.29 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 55011780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).