6-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole

C21H24N4S — CID 11653478

IUPAC6-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole
SMILESC[C@@H]1CCCN1CCc1ccc2nc(-c3cn4c(n3)SCC4)ccc2c1
InChIInChI=1S/C21H24N4S/c1-15-3-2-9-24(15)10-8-16-4-6-18-17(13-16)5-7-19(22-18)20-14-25-11-12-26-21(25)23-20/h4-7,13-15H,2-3,8-12H2,1H3/t15-/m1/s1
InChIKeyUWCNFUQEKWPTHW-OAHLLOKOSA-N
MW364.52 g/mol
LogP4.23
Rot. Bonds4

About 6-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole

6-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole (PubChem CID 11653478) has the molecular formula C21H24N4S and a molecular weight of 364.52 g/mol. Its IUPAC name is 6-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole
PubChem CID11653478
Molecular FormulaC21H24N4S
Molecular Weight364.52 g/mol
Exact Mass364.17
IUPAC Name6-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole
SMILESC[C@@H]1CCCN1CCc1ccc2nc(-c3cn4c(n3)SCC4)ccc2c1
InChIInChI=1S/C21H24N4S/c1-15-3-2-9-24(15)10-8-16-4-6-18-17(13-16)5-7-19(22-18)20-14-25-11-12-26-21(25)23-20/h4-7,13-15H,2-3,8-12H2,1H3/t15-/m1/s1
InChIKeyUWCNFUQEKWPTHW-OAHLLOKOSA-N
XLogP4.23
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.52
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole (CID 11653478) is 6-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole is C[C@@H]1CCCN1CCc1ccc2nc(-c3cn4c(n3)SCC4)ccc2c1.
What is the InChIKey of 6-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole?
The InChIKey is UWCNFUQEKWPTHW-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H24N4S/c1-15-3-2-9-24(15)10-8-16-4-6-18-17(13-16)5-7-19(22-18)20-14-25-11-12-26-21(25)23-20/h4-7,13-15H,2-3,8-12H2,1H3/t15-/m1/s1.
What are the key properties of 6-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole?
6-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole has a molecular weight of 364.52 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 11653478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).