3-(7-fluoro-1,3-benzothiazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine

C20H19FN6S — CID 67520460

IUPAC3-(7-fluoro-1,3-benzothiazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
SMILESNc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1nc2cccc(F)c2s1
InChIInChI=1S/C20H19FN6S/c21-16-2-1-3-17-18(16)28-20(26-17)15-8-12(9-24-19(15)22)13-10-25-27(11-13)14-4-6-23-7-5-14/h1-3,8-11,14,23H,4-7H2,(H2,22,24)
InChIKeyAFSCOBSFSZJACQ-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.87
Rot. Bonds3

About 3-(7-fluoro-1,3-benzothiazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine

3-(7-fluoro-1,3-benzothiazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine (PubChem CID 67520460) has the molecular formula C20H19FN6S and a molecular weight of 394.48 g/mol. Its IUPAC name is 3-(7-fluoro-1,3-benzothiazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-(7-fluoro-1,3-benzothiazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
PubChem CID67520460
Molecular FormulaC20H19FN6S
Molecular Weight394.48 g/mol
Exact Mass394.14
IUPAC Name3-(7-fluoro-1,3-benzothiazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
SMILESNc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1nc2cccc(F)c2s1
InChIInChI=1S/C20H19FN6S/c21-16-2-1-3-17-18(16)28-20(26-17)15-8-12(9-24-19(15)22)13-10-25-27(11-13)14-4-6-23-7-5-14/h1-3,8-11,14,23H,4-7H2,(H2,22,24)
InChIKeyAFSCOBSFSZJACQ-UHFFFAOYSA-N
XLogP3.87
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-(7-fluoro-1,3-benzothiazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(7-fluoro-1,3-benzothiazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The IUPAC name of 3-(7-fluoro-1,3-benzothiazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine (CID 67520460) is 3-(7-fluoro-1,3-benzothiazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine.
What is the SMILES notation for 3-(7-fluoro-1,3-benzothiazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The canonical SMILES for 3-(7-fluoro-1,3-benzothiazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine is Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1nc2cccc(F)c2s1.
What is the InChIKey of 3-(7-fluoro-1,3-benzothiazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The InChIKey is AFSCOBSFSZJACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6S/c21-16-2-1-3-17-18(16)28-20(26-17)15-8-12(9-24-19(15)22)13-10-25-27(11-13)14-4-6-23-7-5-14/h1-3,8-11,14,23H,4-7H2,(H2,22,24).
What are the key properties of 3-(7-fluoro-1,3-benzothiazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
3-(7-fluoro-1,3-benzothiazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine has a molecular weight of 394.48 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-fluoro-1,3-benzothiazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 67520460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).