5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2-phenyl-1,3-thiazole

C25H25N3S — CID 11632711

IUPAC5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2-phenyl-1,3-thiazole
SMILESC[C@@H]1CCCN1CCc1ccc2nc(-c3cnc(-c4ccccc4)s3)ccc2c1
InChIInChI=1S/C25H25N3S/c1-18-6-5-14-28(18)15-13-19-9-11-22-21(16-19)10-12-23(27-22)24-17-26-25(29-24)20-7-3-2-4-8-20/h2-4,7-12,16-18H,5-6,13-15H2,1H3/t18-/m1/s1
InChIKeyCRBTZFVQVOXBBO-GOSISDBHSA-N
MW399.56 g/mol
LogP6.05
Rot. Bonds5

About 5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2-phenyl-1,3-thiazole

5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2-phenyl-1,3-thiazole (PubChem CID 11632711) has the molecular formula C25H25N3S and a molecular weight of 399.56 g/mol. Its IUPAC name is 5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2-phenyl-1,3-thiazole.

Molecular Properties

Compound Name5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2-phenyl-1,3-thiazole
PubChem CID11632711
Molecular FormulaC25H25N3S
Molecular Weight399.56 g/mol
Exact Mass399.18
IUPAC Name5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2-phenyl-1,3-thiazole
SMILESC[C@@H]1CCCN1CCc1ccc2nc(-c3cnc(-c4ccccc4)s3)ccc2c1
InChIInChI=1S/C25H25N3S/c1-18-6-5-14-28(18)15-13-19-9-11-22-21(16-19)10-12-23(27-22)24-17-26-25(29-24)20-7-3-2-4-8-20/h2-4,7-12,16-18H,5-6,13-15H2,1H3/t18-/m1/s1
InChIKeyCRBTZFVQVOXBBO-GOSISDBHSA-N
XLogP6.05
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.56
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2-phenyl-1,3-thiazole?
The IUPAC name of 5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2-phenyl-1,3-thiazole (CID 11632711) is 5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2-phenyl-1,3-thiazole.
What is the SMILES notation for 5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2-phenyl-1,3-thiazole?
The canonical SMILES for 5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2-phenyl-1,3-thiazole is C[C@@H]1CCCN1CCc1ccc2nc(-c3cnc(-c4ccccc4)s3)ccc2c1.
What is the InChIKey of 5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2-phenyl-1,3-thiazole?
The InChIKey is CRBTZFVQVOXBBO-GOSISDBHSA-N. The full InChI is InChI=1S/C25H25N3S/c1-18-6-5-14-28(18)15-13-19-9-11-22-21(16-19)10-12-23(27-22)24-17-26-25(29-24)20-7-3-2-4-8-20/h2-4,7-12,16-18H,5-6,13-15H2,1H3/t18-/m1/s1.
What are the key properties of 5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2-phenyl-1,3-thiazole?
5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2-phenyl-1,3-thiazole has a molecular weight of 399.56 g/mol, XLogP of 6.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2-phenyl-1,3-thiazole is sourced from PubChem (CID 11632711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).