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

C24H25N3S2 — CID 11640354

IUPAC4-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2-thiophen-2-yl-1,3-thiazole
SMILESCc1nc(-c2cccs2)sc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1
InChIInChI=1S/C24H25N3S2/c1-16-5-3-12-27(16)13-11-18-7-9-20-19(15-18)8-10-21(26-20)23-17(2)25-24(29-23)22-6-4-14-28-22/h4,6-10,14-16H,3,5,11-13H2,1-2H3/t16-/m1/s1
InChIKeyASTAPGJBBBKTEX-MRXNPFEDSA-N
MW419.62 g/mol
LogP6.42
Rot. Bonds5

About 4-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2-thiophen-2-yl-1,3-thiazole

4-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2-thiophen-2-yl-1,3-thiazole (PubChem CID 11640354) has the molecular formula C24H25N3S2 and a molecular weight of 419.62 g/mol. Its IUPAC name is 4-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2-thiophen-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2-thiophen-2-yl-1,3-thiazole
PubChem CID11640354
Molecular FormulaC24H25N3S2
Molecular Weight419.62 g/mol
Exact Mass419.15
IUPAC Name4-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2-thiophen-2-yl-1,3-thiazole
SMILESCc1nc(-c2cccs2)sc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1
InChIInChI=1S/C24H25N3S2/c1-16-5-3-12-27(16)13-11-18-7-9-20-19(15-18)8-10-21(26-20)23-17(2)25-24(29-23)22-6-4-14-28-22/h4,6-10,14-16H,3,5,11-13H2,1-2H3/t16-/m1/s1
InChIKeyASTAPGJBBBKTEX-MRXNPFEDSA-N
XLogP6.42
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.62
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2-thiophen-2-yl-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2-thiophen-2-yl-1,3-thiazole?
The IUPAC name of 4-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2-thiophen-2-yl-1,3-thiazole (CID 11640354) is 4-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2-thiophen-2-yl-1,3-thiazole.
What is the SMILES notation for 4-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2-thiophen-2-yl-1,3-thiazole?
The canonical SMILES for 4-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2-thiophen-2-yl-1,3-thiazole is Cc1nc(-c2cccs2)sc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1.
What is the InChIKey of 4-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2-thiophen-2-yl-1,3-thiazole?
The InChIKey is ASTAPGJBBBKTEX-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H25N3S2/c1-16-5-3-12-27(16)13-11-18-7-9-20-19(15-18)8-10-21(26-20)23-17(2)25-24(29-23)22-6-4-14-28-22/h4,6-10,14-16H,3,5,11-13H2,1-2H3/t16-/m1/s1.
What are the key properties of 4-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2-thiophen-2-yl-1,3-thiazole?
4-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2-thiophen-2-yl-1,3-thiazole has a molecular weight of 419.62 g/mol, XLogP of 6.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2-thiophen-2-yl-1,3-thiazole is sourced from PubChem (CID 11640354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).