2-[[5-(3-fluoro-2-pyridinyl)-2H-indazol-3-yl]methyl]-1,3-thiazole

C16H11FN4S — CID 58540689

IUPAC2-[[5-(3-fluoro-2-pyridinyl)-2H-indazol-3-yl]methyl]-1,3-thiazole
SMILESFc1cccnc1-c1ccc2n[nH]c(Cc3nccs3)c2c1
InChIInChI=1S/C16H11FN4S/c17-12-2-1-5-19-16(12)10-3-4-13-11(8-10)14(21-20-13)9-15-18-6-7-22-15/h1-8H,9H2,(H,20,21)
InChIKeyHQNOWIMTJREFEJ-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.81
Rot. Bonds3

About 2-[[5-(3-fluoro-2-pyridinyl)-2H-indazol-3-yl]methyl]-1,3-thiazole

2-[[5-(3-fluoro-2-pyridinyl)-2H-indazol-3-yl]methyl]-1,3-thiazole (PubChem CID 58540689) has the molecular formula C16H11FN4S and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-[[5-(3-fluoro-2-pyridinyl)-2H-indazol-3-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[5-(3-fluoro-2-pyridinyl)-2H-indazol-3-yl]methyl]-1,3-thiazole
PubChem CID58540689
Molecular FormulaC16H11FN4S
Molecular Weight310.36 g/mol
Exact Mass310.07
IUPAC Name2-[[5-(3-fluoro-2-pyridinyl)-2H-indazol-3-yl]methyl]-1,3-thiazole
SMILESFc1cccnc1-c1ccc2n[nH]c(Cc3nccs3)c2c1
InChIInChI=1S/C16H11FN4S/c17-12-2-1-5-19-16(12)10-3-4-13-11(8-10)14(21-20-13)9-15-18-6-7-22-15/h1-8H,9H2,(H,20,21)
InChIKeyHQNOWIMTJREFEJ-UHFFFAOYSA-N
XLogP3.81
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3-fluoro-2-pyridinyl)-2H-indazol-3-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[5-(3-fluoro-2-pyridinyl)-2H-indazol-3-yl]methyl]-1,3-thiazole (CID 58540689) is 2-[[5-(3-fluoro-2-pyridinyl)-2H-indazol-3-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[5-(3-fluoro-2-pyridinyl)-2H-indazol-3-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[5-(3-fluoro-2-pyridinyl)-2H-indazol-3-yl]methyl]-1,3-thiazole is Fc1cccnc1-c1ccc2n[nH]c(Cc3nccs3)c2c1.
What is the InChIKey of 2-[[5-(3-fluoro-2-pyridinyl)-2H-indazol-3-yl]methyl]-1,3-thiazole?
The InChIKey is HQNOWIMTJREFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4S/c17-12-2-1-5-19-16(12)10-3-4-13-11(8-10)14(21-20-13)9-15-18-6-7-22-15/h1-8H,9H2,(H,20,21).
What are the key properties of 2-[[5-(3-fluoro-2-pyridinyl)-2H-indazol-3-yl]methyl]-1,3-thiazole?
2-[[5-(3-fluoro-2-pyridinyl)-2H-indazol-3-yl]methyl]-1,3-thiazole has a molecular weight of 310.36 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3-fluoro-2-pyridinyl)-2H-indazol-3-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 58540689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).