2-[1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]-1,3-benzothiazole

C21H20N4S — CID 43054216

IUPAC2-[1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]-1,3-benzothiazole
SMILESc1ccc2sc(C3CCCN3Cc3ccc(-n4cccn4)cc3)nc2c1
InChIInChI=1S/C21H20N4S/c1-2-7-20-18(5-1)23-21(26-20)19-6-3-13-24(19)15-16-8-10-17(11-9-16)25-14-4-12-22-25/h1-2,4-5,7-12,14,19H,3,6,13,15H2
InChIKeyYHUQJBMDOLTRRG-UHFFFAOYSA-N
MW360.49 g/mol
LogP4.82
Rot. Bonds4

About 2-[1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]-1,3-benzothiazole

2-[1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]-1,3-benzothiazole (PubChem CID 43054216) has the molecular formula C21H20N4S and a molecular weight of 360.49 g/mol. Its IUPAC name is 2-[1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]-1,3-benzothiazole
PubChem CID43054216
Molecular FormulaC21H20N4S
Molecular Weight360.49 g/mol
Exact Mass360.14
IUPAC Name2-[1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]-1,3-benzothiazole
SMILESc1ccc2sc(C3CCCN3Cc3ccc(-n4cccn4)cc3)nc2c1
InChIInChI=1S/C21H20N4S/c1-2-7-20-18(5-1)23-21(26-20)19-6-3-13-24(19)15-16-8-10-17(11-9-16)25-14-4-12-22-25/h1-2,4-5,7-12,14,19H,3,6,13,15H2
InChIKeyYHUQJBMDOLTRRG-UHFFFAOYSA-N
XLogP4.82
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.49
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]-1,3-benzothiazole 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

4-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]butan-1-ol
CID 110931453
1,3,5-trimethyl-4-[(2R)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]pyrazole
CID 95611766
2-[(2S)-1-(quinolin-8-ylmethyl)pyrrolidin-2-yl]-1,3-benzothiazole
CID 51485104
2-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-3H-quinazolin-4-one
CID 135767703
2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-2-yl]-1,3-benzothiazole
CID 70729111
[1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]methanamine
CID 81492961
2-[1-[(4-methylthiadiazol-5-yl)methyl]pyrrolidin-2-yl]-1,3-benzothiazole
CID 91833919
2-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-5-ethyl-1,3,4-oxadiazole
CID 95721054
3-[[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]benzonitrile
CID 9135716
3-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]propanenitrile
CID 26607611
2-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 78790074
1-(azepan-1-yl)-2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethanone
CID 8893521

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]-1,3-benzothiazole?
The IUPAC name of 2-[1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]-1,3-benzothiazole (CID 43054216) is 2-[1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]-1,3-benzothiazole.
What is the SMILES notation for 2-[1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]-1,3-benzothiazole?
The canonical SMILES for 2-[1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]-1,3-benzothiazole is c1ccc2sc(C3CCCN3Cc3ccc(-n4cccn4)cc3)nc2c1.
What is the InChIKey of 2-[1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]-1,3-benzothiazole?
The InChIKey is YHUQJBMDOLTRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4S/c1-2-7-20-18(5-1)23-21(26-20)19-6-3-13-24(19)15-16-8-10-17(11-9-16)25-14-4-12-22-25/h1-2,4-5,7-12,14,19H,3,6,13,15H2.
What are the key properties of 2-[1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]-1,3-benzothiazole?
2-[1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]-1,3-benzothiazole has a molecular weight of 360.49 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]-1,3-benzothiazole is sourced from PubChem (CID 43054216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).