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

C10H7FN4S — CID 66768450

IUPAC4-(6-fluoro-1,3-benzothiazol-2-yl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1nc2ccc(F)cc2s1
InChIInChI=1S/C10H7FN4S/c11-5-1-2-7-8(3-5)16-10(14-7)6-4-13-15-9(6)12/h1-4H,(H3,12,13,15)
InChIKeyUPUVYZJKZGVBSN-UHFFFAOYSA-N
MW234.26 g/mol
LogP2.41
Rot. Bonds1

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

4-(6-fluoro-1,3-benzothiazol-2-yl)-1H-pyrazol-5-amine (PubChem CID 66768450) has the molecular formula C10H7FN4S and a molecular weight of 234.26 g/mol. Its IUPAC name is 4-(6-fluoro-1,3-benzothiazol-2-yl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(6-fluoro-1,3-benzothiazol-2-yl)-1H-pyrazol-5-amine
PubChem CID66768450
Molecular FormulaC10H7FN4S
Molecular Weight234.26 g/mol
Exact Mass234.04
IUPAC Name4-(6-fluoro-1,3-benzothiazol-2-yl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1nc2ccc(F)cc2s1
InChIInChI=1S/C10H7FN4S/c11-5-1-2-7-8(3-5)16-10(14-7)6-4-13-15-9(6)12/h1-4H,(H3,12,13,15)
InChIKeyUPUVYZJKZGVBSN-UHFFFAOYSA-N
XLogP2.41
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrazole_amino_B(1)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-1,3-benzothiazol-2-yl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(6-fluoro-1,3-benzothiazol-2-yl)-1H-pyrazol-5-amine (CID 66768450) is 4-(6-fluoro-1,3-benzothiazol-2-yl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(6-fluoro-1,3-benzothiazol-2-yl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(6-fluoro-1,3-benzothiazol-2-yl)-1H-pyrazol-5-amine is Nc1[nH]ncc1-c1nc2ccc(F)cc2s1.
What is the InChIKey of 4-(6-fluoro-1,3-benzothiazol-2-yl)-1H-pyrazol-5-amine?
The InChIKey is UPUVYZJKZGVBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN4S/c11-5-1-2-7-8(3-5)16-10(14-7)6-4-13-15-9(6)12/h1-4H,(H3,12,13,15).
What are the key properties of 4-(6-fluoro-1,3-benzothiazol-2-yl)-1H-pyrazol-5-amine?
4-(6-fluoro-1,3-benzothiazol-2-yl)-1H-pyrazol-5-amine has a molecular weight of 234.26 g/mol, XLogP of 2.41, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-1,3-benzothiazol-2-yl)-1H-pyrazol-5-amine is sourced from PubChem (CID 66768450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).