2-[1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-1,3-thiazole

C19H18N4OS — CID 45229826

IUPAC2-[1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-1,3-thiazole
SMILESc1ccc2oc(-c3[nH]ncc3CN3CCCC3c3nccs3)cc2c1
InChIInChI=1S/C19H18N4OS/c1-2-6-16-13(4-1)10-17(24-16)18-14(11-21-22-18)12-23-8-3-5-15(23)19-20-7-9-25-19/h1-2,4,6-7,9-11,15H,3,5,8,12H2,(H,21,22)
InChIKeyQCQJDEAMMLSWNF-UHFFFAOYSA-N
MW350.45 g/mol
LogP4.62
Rot. Bonds4

About 2-[1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-1,3-thiazole

2-[1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-1,3-thiazole (PubChem CID 45229826) has the molecular formula C19H18N4OS and a molecular weight of 350.45 g/mol. Its IUPAC name is 2-[1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-1,3-thiazole
PubChem CID45229826
Molecular FormulaC19H18N4OS
Molecular Weight350.45 g/mol
Exact Mass350.12
IUPAC Name2-[1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-1,3-thiazole
SMILESc1ccc2oc(-c3[nH]ncc3CN3CCCC3c3nccs3)cc2c1
InChIInChI=1S/C19H18N4OS/c1-2-6-16-13(4-1)10-17(24-16)18-14(11-21-22-18)12-23-8-3-5-15(23)19-20-7-9-25-19/h1-2,4,6-7,9-11,15H,3,5,8,12H2,(H,21,22)
InChIKeyQCQJDEAMMLSWNF-UHFFFAOYSA-N
XLogP4.62
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-1,3-thiazole with MolForge

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Related Compounds

4-(1-Benzofuran-2-yl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole
CID 2370900
4-(1-benzofuran-2-yl)-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]-1,3-thiazol-2-amine
CID 76329790
N-{[1-(3-fluorophenyl)-3-(5-methyl-2-furyl)-1H-pyrazol-4-yl]methyl}-N-methyl-1-(1,3-thiazol-2-yl)ethanamine
CID 45198190
2-[(2S)-2-(4-chloropyrazol-1-yl)propyl]-4-(3-methyl-1-benzofuran-2-yl)-1,3-thiazole
CID 52539311
2-methyl-4-[(2S)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-2-yl]-1,3-thiazole
CID 124257299
2-[(E)-2-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]ethenyl]-1,3-benzothiazole
CID 6002738
2-((3-(Benzofuran-2-yl)-1-phenyl-1h-pyrazol-4-yl)methylene)hydrazinyl-4-phenylthiazole
CID 170458895
(e)-2-(2-((3-(Benzofuran-2-yl)-1-phenyl-1h-pyrazol-4-yl)methylene)hydrazinyl)-4-(p-tolyl)thiazole
CID 170458899
(1R)-N-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine
CID 25456169
(1S)-N-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine
CID 25456177
N-{[1-(3-fluorophenyl)-3-(5-methyl-2-furyl)-1H-pyrazol-4-yl]methyl}-3-(4-methyl-1,3-thiazol-5-yl)-1-propanamine
CID 25481436
2-[(2R)-1-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]-1,3-thiazole
CID 26318066

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-1,3-thiazole?
The IUPAC name of 2-[1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-1,3-thiazole (CID 45229826) is 2-[1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-[1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-1,3-thiazole?
The canonical SMILES for 2-[1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-1,3-thiazole is c1ccc2oc(-c3[nH]ncc3CN3CCCC3c3nccs3)cc2c1.
What is the InChIKey of 2-[1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-1,3-thiazole?
The InChIKey is QCQJDEAMMLSWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4OS/c1-2-6-16-13(4-1)10-17(24-16)18-14(11-21-22-18)12-23-8-3-5-15(23)19-20-7-9-25-19/h1-2,4,6-7,9-11,15H,3,5,8,12H2,(H,21,22).
What are the key properties of 2-[1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-1,3-thiazole?
2-[1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-1,3-thiazole has a molecular weight of 350.45 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-1,3-thiazole is sourced from PubChem (CID 45229826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).