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

C19H21N3S — CID 10087576

IUPAC2-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazole
SMILESC[C@@H]1CCCN1CCc1ccc2nc(-c3nccs3)ccc2c1
InChIInChI=1S/C19H21N3S/c1-14-3-2-10-22(14)11-8-15-4-6-17-16(13-15)5-7-18(21-17)19-20-9-12-23-19/h4-7,9,12-14H,2-3,8,10-11H2,1H3/t14-/m1/s1
InChIKeyUHGSEJDZVOPSFT-CQSZACIVSA-N
MW323.47 g/mol
LogP4.39
Rot. Bonds4

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

2-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazole (PubChem CID 10087576) has the molecular formula C19H21N3S and a molecular weight of 323.47 g/mol. Its IUPAC name is 2-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazole
PubChem CID10087576
Molecular FormulaC19H21N3S
Molecular Weight323.47 g/mol
Exact Mass323.15
IUPAC Name2-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazole
SMILESC[C@@H]1CCCN1CCc1ccc2nc(-c3nccs3)ccc2c1
InChIInChI=1S/C19H21N3S/c1-14-3-2-10-22(14)11-8-15-4-6-17-16(13-15)5-7-18(21-17)19-20-9-12-23-19/h4-7,9,12-14H,2-3,8,10-11H2,1H3/t14-/m1/s1
InChIKeyUHGSEJDZVOPSFT-CQSZACIVSA-N
XLogP4.39
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.47
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazole?
The IUPAC name of 2-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazole (CID 10087576) is 2-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazole?
The canonical SMILES for 2-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazole is C[C@@H]1CCCN1CCc1ccc2nc(-c3nccs3)ccc2c1.
What is the InChIKey of 2-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazole?
The InChIKey is UHGSEJDZVOPSFT-CQSZACIVSA-N. The full InChI is InChI=1S/C19H21N3S/c1-14-3-2-10-22(14)11-8-15-4-6-17-16(13-15)5-7-18(21-17)19-20-9-12-23-19/h4-7,9,12-14H,2-3,8,10-11H2,1H3/t14-/m1/s1.
What are the key properties of 2-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazole?
2-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazole has a molecular weight of 323.47 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazole is sourced from PubChem (CID 10087576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).