4-(5-fluoro-1,3-benzothiazol-2-yl)-5-methyl-1H-pyrazol-3-amine

C11H9FN4S — CID 66767964

IUPAC4-(5-fluoro-1,3-benzothiazol-2-yl)-5-methyl-1H-pyrazol-3-amine
SMILESCc1[nH]nc(N)c1-c1nc2cc(F)ccc2s1
InChIInChI=1S/C11H9FN4S/c1-5-9(10(13)16-15-5)11-14-7-4-6(12)2-3-8(7)17-11/h2-4H,1H3,(H3,13,15,16)
InChIKeyUPFLHWHGWALIPT-UHFFFAOYSA-N
MW248.29 g/mol
LogP2.72
Rot. Bonds1

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

4-(5-fluoro-1,3-benzothiazol-2-yl)-5-methyl-1H-pyrazol-3-amine (PubChem CID 66767964) has the molecular formula C11H9FN4S and a molecular weight of 248.29 g/mol. Its IUPAC name is 4-(5-fluoro-1,3-benzothiazol-2-yl)-5-methyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(5-fluoro-1,3-benzothiazol-2-yl)-5-methyl-1H-pyrazol-3-amine
PubChem CID66767964
Molecular FormulaC11H9FN4S
Molecular Weight248.29 g/mol
Exact Mass248.05
IUPAC Name4-(5-fluoro-1,3-benzothiazol-2-yl)-5-methyl-1H-pyrazol-3-amine
SMILESCc1[nH]nc(N)c1-c1nc2cc(F)ccc2s1
InChIInChI=1S/C11H9FN4S/c1-5-9(10(13)16-15-5)11-14-7-4-6(12)2-3-8(7)17-11/h2-4H,1H3,(H3,13,15,16)
InChIKeyUPFLHWHGWALIPT-UHFFFAOYSA-N
XLogP2.72
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-1,3-benzothiazol-2-yl)-5-methyl-1H-pyrazol-3-amine?
The IUPAC name of 4-(5-fluoro-1,3-benzothiazol-2-yl)-5-methyl-1H-pyrazol-3-amine (CID 66767964) is 4-(5-fluoro-1,3-benzothiazol-2-yl)-5-methyl-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(5-fluoro-1,3-benzothiazol-2-yl)-5-methyl-1H-pyrazol-3-amine?
The canonical SMILES for 4-(5-fluoro-1,3-benzothiazol-2-yl)-5-methyl-1H-pyrazol-3-amine is Cc1[nH]nc(N)c1-c1nc2cc(F)ccc2s1.
What is the InChIKey of 4-(5-fluoro-1,3-benzothiazol-2-yl)-5-methyl-1H-pyrazol-3-amine?
The InChIKey is UPFLHWHGWALIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN4S/c1-5-9(10(13)16-15-5)11-14-7-4-6(12)2-3-8(7)17-11/h2-4H,1H3,(H3,13,15,16).
What are the key properties of 4-(5-fluoro-1,3-benzothiazol-2-yl)-5-methyl-1H-pyrazol-3-amine?
4-(5-fluoro-1,3-benzothiazol-2-yl)-5-methyl-1H-pyrazol-3-amine has a molecular weight of 248.29 g/mol, XLogP of 2.72, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-1,3-benzothiazol-2-yl)-5-methyl-1H-pyrazol-3-amine is sourced from PubChem (CID 66767964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).