4-(5-fluoro-6-methoxy-1,3-benzothiazol-2-yl)-5-(1,2-oxazol-5-yl)-1H-pyrazol-3-amine

C14H10FN5O2S — CID 66769897

IUPAC4-(5-fluoro-6-methoxy-1,3-benzothiazol-2-yl)-5-(1,2-oxazol-5-yl)-1H-pyrazol-3-amine
SMILESCOc1cc2sc(-c3c(N)n[nH]c3-c3ccno3)nc2cc1F
InChIInChI=1S/C14H10FN5O2S/c1-21-9-5-10-7(4-6(9)15)18-14(23-10)11-12(19-20-13(11)16)8-2-3-17-22-8/h2-5H,1H3,(H3,16,19,20)
InChIKeyYKXDFTUXTJQUSR-UHFFFAOYSA-N
MW331.33 g/mol
LogP3.07
Rot. Bonds3

About 4-(5-fluoro-6-methoxy-1,3-benzothiazol-2-yl)-5-(1,2-oxazol-5-yl)-1H-pyrazol-3-amine

4-(5-fluoro-6-methoxy-1,3-benzothiazol-2-yl)-5-(1,2-oxazol-5-yl)-1H-pyrazol-3-amine (PubChem CID 66769897) has the molecular formula C14H10FN5O2S and a molecular weight of 331.33 g/mol. Its IUPAC name is 4-(5-fluoro-6-methoxy-1,3-benzothiazol-2-yl)-5-(1,2-oxazol-5-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(5-fluoro-6-methoxy-1,3-benzothiazol-2-yl)-5-(1,2-oxazol-5-yl)-1H-pyrazol-3-amine
PubChem CID66769897
Molecular FormulaC14H10FN5O2S
Molecular Weight331.33 g/mol
Exact Mass331.05
IUPAC Name4-(5-fluoro-6-methoxy-1,3-benzothiazol-2-yl)-5-(1,2-oxazol-5-yl)-1H-pyrazol-3-amine
SMILESCOc1cc2sc(-c3c(N)n[nH]c3-c3ccno3)nc2cc1F
InChIInChI=1S/C14H10FN5O2S/c1-21-9-5-10-7(4-6(9)15)18-14(23-10)11-12(19-20-13(11)16)8-2-3-17-22-8/h2-5H,1H3,(H3,16,19,20)
InChIKeyYKXDFTUXTJQUSR-UHFFFAOYSA-N
XLogP3.07
TPSA102.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-6-methoxy-1,3-benzothiazol-2-yl)-5-(1,2-oxazol-5-yl)-1H-pyrazol-3-amine?
The IUPAC name of 4-(5-fluoro-6-methoxy-1,3-benzothiazol-2-yl)-5-(1,2-oxazol-5-yl)-1H-pyrazol-3-amine (CID 66769897) is 4-(5-fluoro-6-methoxy-1,3-benzothiazol-2-yl)-5-(1,2-oxazol-5-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(5-fluoro-6-methoxy-1,3-benzothiazol-2-yl)-5-(1,2-oxazol-5-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-(5-fluoro-6-methoxy-1,3-benzothiazol-2-yl)-5-(1,2-oxazol-5-yl)-1H-pyrazol-3-amine is COc1cc2sc(-c3c(N)n[nH]c3-c3ccno3)nc2cc1F.
What is the InChIKey of 4-(5-fluoro-6-methoxy-1,3-benzothiazol-2-yl)-5-(1,2-oxazol-5-yl)-1H-pyrazol-3-amine?
The InChIKey is YKXDFTUXTJQUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN5O2S/c1-21-9-5-10-7(4-6(9)15)18-14(23-10)11-12(19-20-13(11)16)8-2-3-17-22-8/h2-5H,1H3,(H3,16,19,20).
What are the key properties of 4-(5-fluoro-6-methoxy-1,3-benzothiazol-2-yl)-5-(1,2-oxazol-5-yl)-1H-pyrazol-3-amine?
4-(5-fluoro-6-methoxy-1,3-benzothiazol-2-yl)-5-(1,2-oxazol-5-yl)-1H-pyrazol-3-amine has a molecular weight of 331.33 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-6-methoxy-1,3-benzothiazol-2-yl)-5-(1,2-oxazol-5-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 66769897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).