N-[(1S,2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-3-pyrazol-1-ylpyridine-2-carboxamide

C21H19FN6OS — CID 126666451

IUPACN-[(1S,2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-3-pyrazol-1-ylpyridine-2-carboxamide
SMILESO=C(N[C@H]1CCC[C@@H]1Nc1nc2ccc(F)cc2s1)c1ncccc1-n1cccn1
InChIInChI=1S/C21H19FN6OS/c22-13-7-8-16-18(12-13)30-21(27-16)26-15-5-1-4-14(15)25-20(29)19-17(6-2-9-23-19)28-11-3-10-24-28/h2-3,6-12,14-15H,1,4-5H2,(H,25,29)(H,26,27)/t14-,15-/m0/s1
InChIKeyZNHYIIOVQSLYRA-GJZGRUSLSA-N
MW422.49 g/mol
LogP3.78
Rot. Bonds5

About N-[(1S,2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-3-pyrazol-1-ylpyridine-2-carboxamide

N-[(1S,2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-3-pyrazol-1-ylpyridine-2-carboxamide (PubChem CID 126666451) has the molecular formula C21H19FN6OS and a molecular weight of 422.49 g/mol. Its IUPAC name is N-[(1S,2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-3-pyrazol-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-3-pyrazol-1-ylpyridine-2-carboxamide
PubChem CID126666451
Molecular FormulaC21H19FN6OS
Molecular Weight422.49 g/mol
Exact Mass422.13
IUPAC NameN-[(1S,2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-3-pyrazol-1-ylpyridine-2-carboxamide
SMILESO=C(N[C@H]1CCC[C@@H]1Nc1nc2ccc(F)cc2s1)c1ncccc1-n1cccn1
InChIInChI=1S/C21H19FN6OS/c22-13-7-8-16-18(12-13)30-21(27-16)26-15-5-1-4-14(15)25-20(29)19-17(6-2-9-23-19)28-11-3-10-24-28/h2-3,6-12,14-15H,1,4-5H2,(H,25,29)(H,26,27)/t14-,15-/m0/s1
InChIKeyZNHYIIOVQSLYRA-GJZGRUSLSA-N
XLogP3.78
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(1S,2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-3-pyrazol-1-ylpyridine-2-carboxamide 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 N-[(1S,2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-3-pyrazol-1-ylpyridine-2-carboxamide?
The IUPAC name of N-[(1S,2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-3-pyrazol-1-ylpyridine-2-carboxamide (CID 126666451) is N-[(1S,2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-3-pyrazol-1-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-3-pyrazol-1-ylpyridine-2-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-3-pyrazol-1-ylpyridine-2-carboxamide is O=C(N[C@H]1CCC[C@@H]1Nc1nc2ccc(F)cc2s1)c1ncccc1-n1cccn1.
What is the InChIKey of N-[(1S,2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-3-pyrazol-1-ylpyridine-2-carboxamide?
The InChIKey is ZNHYIIOVQSLYRA-GJZGRUSLSA-N. The full InChI is InChI=1S/C21H19FN6OS/c22-13-7-8-16-18(12-13)30-21(27-16)26-15-5-1-4-14(15)25-20(29)19-17(6-2-9-23-19)28-11-3-10-24-28/h2-3,6-12,14-15H,1,4-5H2,(H,25,29)(H,26,27)/t14-,15-/m0/s1.
What are the key properties of N-[(1S,2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-3-pyrazol-1-ylpyridine-2-carboxamide?
N-[(1S,2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-3-pyrazol-1-ylpyridine-2-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-3-pyrazol-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 126666451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).