2-fluoro-N-[4-(4-methoxy-2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide

C18H16FN3O2S — CID 88901624

IUPAC2-fluoro-N-[4-(4-methoxy-2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESCOc1cc(C)c(-c2csc(NC(=O)c3ccnc(F)c3)n2)c(C)c1
InChIInChI=1S/C18H16FN3O2S/c1-10-6-13(24-3)7-11(2)16(10)14-9-25-18(21-14)22-17(23)12-4-5-20-15(19)8-12/h4-9H,1-3H3,(H,21,22,23)
InChIKeyNBFFDYZQATVCDA-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.22
Rot. Bonds4

About 2-fluoro-N-[4-(4-methoxy-2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide

2-fluoro-N-[4-(4-methoxy-2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide (PubChem CID 88901624) has the molecular formula C18H16FN3O2S and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-fluoro-N-[4-(4-methoxy-2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-[4-(4-methoxy-2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
PubChem CID88901624
Molecular FormulaC18H16FN3O2S
Molecular Weight357.41 g/mol
Exact Mass357.09
IUPAC Name2-fluoro-N-[4-(4-methoxy-2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESCOc1cc(C)c(-c2csc(NC(=O)c3ccnc(F)c3)n2)c(C)c1
InChIInChI=1S/C18H16FN3O2S/c1-10-6-13(24-3)7-11(2)16(10)14-9-25-18(21-14)22-17(23)12-4-5-20-15(19)8-12/h4-9H,1-3H3,(H,21,22,23)
InChIKeyNBFFDYZQATVCDA-UHFFFAOYSA-N
XLogP4.22
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.22
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 2-fluoro-N-[4-(4-methoxy-2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The IUPAC name of 2-fluoro-N-[4-(4-methoxy-2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide (CID 88901624) is 2-fluoro-N-[4-(4-methoxy-2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-fluoro-N-[4-(4-methoxy-2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-fluoro-N-[4-(4-methoxy-2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide is COc1cc(C)c(-c2csc(NC(=O)c3ccnc(F)c3)n2)c(C)c1.
What is the InChIKey of 2-fluoro-N-[4-(4-methoxy-2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The InChIKey is NBFFDYZQATVCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2S/c1-10-6-13(24-3)7-11(2)16(10)14-9-25-18(21-14)22-17(23)12-4-5-20-15(19)8-12/h4-9H,1-3H3,(H,21,22,23).
What are the key properties of 2-fluoro-N-[4-(4-methoxy-2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
2-fluoro-N-[4-(4-methoxy-2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-(4-methoxy-2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 88901624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).