1,3-benzothiazol-5-yl(spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-yl)methanone

C18H18N4OS — CID 138810024

IUPAC1,3-benzothiazol-5-yl(spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-yl)methanone
SMILESO=C(c1ccc2scnc2c1)N1CCCC2(CCc3cn[nH]c32)C1
InChIInChI=1S/C18H18N4OS/c23-17(12-2-3-15-14(8-12)19-11-24-15)22-7-1-5-18(10-22)6-4-13-9-20-21-16(13)18/h2-3,8-9,11H,1,4-7,10H2,(H,20,21)
InChIKeyGDYAXQJMHZUSLZ-UHFFFAOYSA-N
MW338.44 g/mol
LogP3.14
Rot. Bonds1

About 1,3-benzothiazol-5-yl(spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-yl)methanone

1,3-benzothiazol-5-yl(spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-yl)methanone (PubChem CID 138810024) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is 1,3-benzothiazol-5-yl(spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-yl)methanone.

Molecular Properties

Compound Name1,3-benzothiazol-5-yl(spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-yl)methanone
PubChem CID138810024
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC Name1,3-benzothiazol-5-yl(spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-yl)methanone
SMILESO=C(c1ccc2scnc2c1)N1CCCC2(CCc3cn[nH]c32)C1
InChIInChI=1S/C18H18N4OS/c23-17(12-2-3-15-14(8-12)19-11-24-15)22-7-1-5-18(10-22)6-4-13-9-20-21-16(13)18/h2-3,8-9,11H,1,4-7,10H2,(H,20,21)
InChIKeyGDYAXQJMHZUSLZ-UHFFFAOYSA-N
XLogP3.14
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,3-benzothiazol-5-yl(spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-yl)methanone with MolForge

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

Launch Full Analysis

Related Compounds

quinoxalin-6-yl(spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-yl)methanone
CID 163306044
(4-fluoro-3-methoxyphenyl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone
CID 138810477
(2-methyl-1,3-benzoxazol-6-yl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone
CID 163313939
1,3-benzothiazol-6-yl-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
CID 135108669
[3-(1H-pyrazol-4-yl)phenyl]-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone
CID 163314428
spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-yl(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 163307990
(2,6-dimethylpyrimidin-4-yl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone
CID 138808621
(5-cyclohexyl-1H-pyrazol-4-yl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone
CID 138806087
1,3-benzothiazol-6-yl-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 56910797
1,3-benzothiazol-5-yl(1,3,8-triazaspiro[4.5]decan-8-yl)methanone
CID 151838974
(3-fluoro-2-methoxyphenyl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone
CID 138809919
3-phenoxy-1-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylpropan-1-one
CID 138807778

Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazol-5-yl(spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-yl)methanone?
The IUPAC name of 1,3-benzothiazol-5-yl(spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-yl)methanone (CID 138810024) is 1,3-benzothiazol-5-yl(spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-yl)methanone.
What is the SMILES notation for 1,3-benzothiazol-5-yl(spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-yl)methanone?
The canonical SMILES for 1,3-benzothiazol-5-yl(spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-yl)methanone is O=C(c1ccc2scnc2c1)N1CCCC2(CCc3cn[nH]c32)C1.
What is the InChIKey of 1,3-benzothiazol-5-yl(spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-yl)methanone?
The InChIKey is GDYAXQJMHZUSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS/c23-17(12-2-3-15-14(8-12)19-11-24-15)22-7-1-5-18(10-22)6-4-13-9-20-21-16(13)18/h2-3,8-9,11H,1,4-7,10H2,(H,20,21).
What are the key properties of 1,3-benzothiazol-5-yl(spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-yl)methanone?
1,3-benzothiazol-5-yl(spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-yl)methanone has a molecular weight of 338.44 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazol-5-yl(spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 138810024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).