N-[1-(4-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-1,5-dimethylpyrazole-3-carboxamide

C18H20FN5OS — CID 172881874

IUPACN-[1-(4-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCN(c3nc4c(F)cccc4s3)CC2)nn1C
InChIInChI=1S/C18H20FN5OS/c1-11-10-14(22-23(11)2)17(25)20-12-6-8-24(9-7-12)18-21-16-13(19)4-3-5-15(16)26-18/h3-5,10,12H,6-9H2,1-2H3,(H,20,25)
InChIKeyCVLKYAUYILPJEM-UHFFFAOYSA-N
MW373.46 g/mol
LogP2.88
Rot. Bonds3

About N-[1-(4-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-1,5-dimethylpyrazole-3-carboxamide

N-[1-(4-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 172881874) has the molecular formula C18H20FN5OS and a molecular weight of 373.46 g/mol. Its IUPAC name is N-[1-(4-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-1,5-dimethylpyrazole-3-carboxamide
PubChem CID172881874
Molecular FormulaC18H20FN5OS
Molecular Weight373.46 g/mol
Exact Mass373.14
IUPAC NameN-[1-(4-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCN(c3nc4c(F)cccc4s3)CC2)nn1C
InChIInChI=1S/C18H20FN5OS/c1-11-10-14(22-23(11)2)17(25)20-12-6-8-24(9-7-12)18-21-16-13(19)4-3-5-15(16)26-18/h3-5,10,12H,6-9H2,1-2H3,(H,20,25)
InChIKeyCVLKYAUYILPJEM-UHFFFAOYSA-N
XLogP2.88
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(4-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-1,5-dimethylpyrazole-3-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-[1-(4-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[1-(4-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-1,5-dimethylpyrazole-3-carboxamide (CID 172881874) is N-[1-(4-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(4-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-(4-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-1,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)NC2CCN(c3nc4c(F)cccc4s3)CC2)nn1C.
What is the InChIKey of N-[1-(4-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is CVLKYAUYILPJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5OS/c1-11-10-14(22-23(11)2)17(25)20-12-6-8-24(9-7-12)18-21-16-13(19)4-3-5-15(16)26-18/h3-5,10,12H,6-9H2,1-2H3,(H,20,25).
What are the key properties of N-[1-(4-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-1,5-dimethylpyrazole-3-carboxamide?
N-[1-(4-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 172881874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).