N-(4-acetyl-1,3-thiazol-2-yl)-2-chloro-5-fluoropyridine-3-carboxamide

C11H7ClFN3O2S — CID 103893084

IUPACN-(4-acetyl-1,3-thiazol-2-yl)-2-chloro-5-fluoropyridine-3-carboxamide
SMILESCC(=O)c1csc(NC(=O)c2cc(F)cnc2Cl)n1
InChIInChI=1S/C11H7ClFN3O2S/c1-5(17)8-4-19-11(15-8)16-10(18)7-2-6(13)3-14-9(7)12/h2-4H,1H3,(H,15,16,18)
InChIKeyNONMUPFWLJZJJV-UHFFFAOYSA-N
MW299.71 g/mol
LogP2.79
Rot. Bonds3

About N-(4-acetyl-1,3-thiazol-2-yl)-2-chloro-5-fluoropyridine-3-carboxamide

N-(4-acetyl-1,3-thiazol-2-yl)-2-chloro-5-fluoropyridine-3-carboxamide (PubChem CID 103893084) has the molecular formula C11H7ClFN3O2S and a molecular weight of 299.71 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)-2-chloro-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)-2-chloro-5-fluoropyridine-3-carboxamide
PubChem CID103893084
Molecular FormulaC11H7ClFN3O2S
Molecular Weight299.71 g/mol
Exact Mass298.99
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)-2-chloro-5-fluoropyridine-3-carboxamide
SMILESCC(=O)c1csc(NC(=O)c2cc(F)cnc2Cl)n1
InChIInChI=1S/C11H7ClFN3O2S/c1-5(17)8-4-19-11(15-8)16-10(18)7-2-6(13)3-14-9(7)12/h2-4H,1H3,(H,15,16,18)
InChIKeyNONMUPFWLJZJJV-UHFFFAOYSA-N
XLogP2.79
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.71
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-(4-acetyl-1,3-thiazol-2-yl)-2-chloro-5-fluoropyridine-3-carboxamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-2-chloro-5-fluoropyridine-3-carboxamide (CID 103893084) is N-(4-acetyl-1,3-thiazol-2-yl)-2-chloro-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)-2-chloro-5-fluoropyridine-3-carboxamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)-2-chloro-5-fluoropyridine-3-carboxamide is CC(=O)c1csc(NC(=O)c2cc(F)cnc2Cl)n1.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)-2-chloro-5-fluoropyridine-3-carboxamide?
The InChIKey is NONMUPFWLJZJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFN3O2S/c1-5(17)8-4-19-11(15-8)16-10(18)7-2-6(13)3-14-9(7)12/h2-4H,1H3,(H,15,16,18).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)-2-chloro-5-fluoropyridine-3-carboxamide?
N-(4-acetyl-1,3-thiazol-2-yl)-2-chloro-5-fluoropyridine-3-carboxamide has a molecular weight of 299.71 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1,3-thiazol-2-yl)-2-chloro-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 103893084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).