2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-2-yl]-1,3-benzothiazole

C19H18N4OS — CID 70729111

IUPAC2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-2-yl]-1,3-benzothiazole
SMILESc1ccc2sc(C3CCCN3Cc3ccc(-c4ccn[nH]4)o3)nc2c1
InChIInChI=1S/C19H18N4OS/c1-2-6-18-15(4-1)21-19(25-18)16-5-3-11-23(16)12-13-7-8-17(24-13)14-9-10-20-22-14/h1-2,4,6-10,16H,3,5,11-12H2,(H,20,22)
InChIKeyYVJRJEKDOQTDJK-UHFFFAOYSA-N
MW350.45 g/mol
LogP4.62
Rot. Bonds4

About 2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-2-yl]-1,3-benzothiazole

2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-2-yl]-1,3-benzothiazole (PubChem CID 70729111) has the molecular formula C19H18N4OS and a molecular weight of 350.45 g/mol. Its IUPAC name is 2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-2-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-2-yl]-1,3-benzothiazole
PubChem CID70729111
Molecular FormulaC19H18N4OS
Molecular Weight350.45 g/mol
Exact Mass350.12
IUPAC Name2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-2-yl]-1,3-benzothiazole
SMILESc1ccc2sc(C3CCCN3Cc3ccc(-c4ccn[nH]4)o3)nc2c1
InChIInChI=1S/C19H18N4OS/c1-2-6-18-15(4-1)21-19(25-18)16-5-3-11-23(16)12-13-7-8-17(24-13)14-9-10-20-22-14/h1-2,4,6-10,16H,3,5,11-12H2,(H,20,22)
InChIKeyYVJRJEKDOQTDJK-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-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-2-yl]-1,3-benzothiazole with MolForge

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Related Compounds

2-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-5-ethyl-1,3,4-oxadiazole
CID 95721054
4-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]butan-1-ol
CID 110931453
2-[1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]-1,3-benzothiazole
CID 43054216
3-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]propanenitrile
CID 26607611
2-[(2S)-1-(quinolin-8-ylmethyl)pyrrolidin-2-yl]-1,3-benzothiazole
CID 51485104
2-[[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 55625854
2-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-3H-quinazolin-4-one
CID 135767703
2-[1-[(4-methylthiadiazol-5-yl)methyl]pyrrolidin-2-yl]-1,3-benzothiazole
CID 91833919
3-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982273
5-[[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole
CID 18167614
2-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 78790074
2-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]-1,3-benzothiazole
CID 86916384

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-2-yl]-1,3-benzothiazole?
The IUPAC name of 2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-2-yl]-1,3-benzothiazole (CID 70729111) is 2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-2-yl]-1,3-benzothiazole.
What is the SMILES notation for 2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-2-yl]-1,3-benzothiazole?
The canonical SMILES for 2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-2-yl]-1,3-benzothiazole is c1ccc2sc(C3CCCN3Cc3ccc(-c4ccn[nH]4)o3)nc2c1.
What is the InChIKey of 2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-2-yl]-1,3-benzothiazole?
The InChIKey is YVJRJEKDOQTDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4OS/c1-2-6-18-15(4-1)21-19(25-18)16-5-3-11-23(16)12-13-7-8-17(24-13)14-9-10-20-22-14/h1-2,4,6-10,16H,3,5,11-12H2,(H,20,22).
What are the key properties of 2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-2-yl]-1,3-benzothiazole?
2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-2-yl]-1,3-benzothiazole 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-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-2-yl]-1,3-benzothiazole is sourced from PubChem (CID 70729111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).