4-(3,4-difluorophenyl)-2-(1H-indazol-3-yl)-1,3-thiazole

C16H9F2N3S — CID 22259219

IUPAC4-(3,4-difluorophenyl)-2-(1H-indazol-3-yl)-1,3-thiazole
SMILESFc1ccc(-c2csc(-c3n[nH]c4ccccc34)n2)cc1F
InChIInChI=1S/C16H9F2N3S/c17-11-6-5-9(7-12(11)18)14-8-22-16(19-14)15-10-3-1-2-4-13(10)20-21-15/h1-8H,(H,20,21)
InChIKeyWIUZDMJVJASLFF-UHFFFAOYSA-N
MW313.33 g/mol
LogP4.63
Rot. Bonds2

About 4-(3,4-difluorophenyl)-2-(1H-indazol-3-yl)-1,3-thiazole

4-(3,4-difluorophenyl)-2-(1H-indazol-3-yl)-1,3-thiazole (PubChem CID 22259219) has the molecular formula C16H9F2N3S and a molecular weight of 313.33 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-2-(1H-indazol-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-2-(1H-indazol-3-yl)-1,3-thiazole
PubChem CID22259219
Molecular FormulaC16H9F2N3S
Molecular Weight313.33 g/mol
Exact Mass313.05
IUPAC Name4-(3,4-difluorophenyl)-2-(1H-indazol-3-yl)-1,3-thiazole
SMILESFc1ccc(-c2csc(-c3n[nH]c4ccccc34)n2)cc1F
InChIInChI=1S/C16H9F2N3S/c17-11-6-5-9(7-12(11)18)14-8-22-16(19-14)15-10-3-1-2-4-13(10)20-21-15/h1-8H,(H,20,21)
InChIKeyWIUZDMJVJASLFF-UHFFFAOYSA-N
XLogP4.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-2-(1H-indazol-3-yl)-1,3-thiazole?
The IUPAC name of 4-(3,4-difluorophenyl)-2-(1H-indazol-3-yl)-1,3-thiazole (CID 22259219) is 4-(3,4-difluorophenyl)-2-(1H-indazol-3-yl)-1,3-thiazole.
What is the SMILES notation for 4-(3,4-difluorophenyl)-2-(1H-indazol-3-yl)-1,3-thiazole?
The canonical SMILES for 4-(3,4-difluorophenyl)-2-(1H-indazol-3-yl)-1,3-thiazole is Fc1ccc(-c2csc(-c3n[nH]c4ccccc34)n2)cc1F.
What is the InChIKey of 4-(3,4-difluorophenyl)-2-(1H-indazol-3-yl)-1,3-thiazole?
The InChIKey is WIUZDMJVJASLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F2N3S/c17-11-6-5-9(7-12(11)18)14-8-22-16(19-14)15-10-3-1-2-4-13(10)20-21-15/h1-8H,(H,20,21).
What are the key properties of 4-(3,4-difluorophenyl)-2-(1H-indazol-3-yl)-1,3-thiazole?
4-(3,4-difluorophenyl)-2-(1H-indazol-3-yl)-1,3-thiazole has a molecular weight of 313.33 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-2-(1H-indazol-3-yl)-1,3-thiazole is sourced from PubChem (CID 22259219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).