2-[(1S)-1-[8-chloro-2-(1,3-thiazol-5-yl)quinolin-3-yl]ethyl]isoindole-1,3-dione;2-[(1S)-1-(2,8-dichloroquinolin-3-yl)ethyl]isoindole-1,3-dione;tributyl(1,3-thiazol-5-yl)stannane

C56H55Cl3N6O4S2Sn — CID 158654648

IUPAC2-[(1S)-1-[8-chloro-2-(1,3-thiazol-5-yl)quinolin-3-yl]ethyl]isoindole-1,3-dione;2-[(1S)-1-(2,8-dichloroquinolin-3-yl)ethyl]isoindole-1,3-dione;tributyl(1,3-thiazol-5-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cncs1.C[C@@H](c1cc2cccc(Cl)c2nc1-c1cncs1)N1C(=O)c2ccccc2C1=O.C[C@@H](c1cc2cccc(Cl)c2nc1Cl)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C22H14ClN3O2S.C19H12Cl2N2O2.3C4H9.C3H2NS.Sn/c1-12(26-21(27)14-6-2-3-7-15(14)22(26)28)16-9-13-5-4-8-17(23)19(13)25-20(16)18-10-24-11-29-18;1-10(23-18(24)12-6-2-3-7-13(12)19(23)25)14-9-11-5-4-8-15(20)16(11)22-17(14)21;3*1-3-4-2;1-2-5-3-4-1;/h2-12H,1H3;2-10H,1H3;3*1,3-4H2,2H3;1,3H;/t12-;10-;;;;;/m00...../s1
InChIKeyIBZFGPMGNFPBKF-BTHCIWJPSA-N
MW1165.30 g/mol
LogP15.47
Rot. Bonds15

About 2-[(1S)-1-[8-chloro-2-(1,3-thiazol-5-yl)quinolin-3-yl]ethyl]isoindole-1,3-dione;2-[(1S)-1-(2,8-dichloroquinolin-3-yl)ethyl]isoindole-1,3-dione;tributyl(1,3-thiazol-5-yl)stannane

2-[(1S)-1-[8-chloro-2-(1,3-thiazol-5-yl)quinolin-3-yl]ethyl]isoindole-1,3-dione;2-[(1S)-1-(2,8-dichloroquinolin-3-yl)ethyl]isoindole-1,3-dione;tributyl(1,3-thiazol-5-yl)stannane (PubChem CID 158654648) has the molecular formula C56H55Cl3N6O4S2Sn and a molecular weight of 1165.30 g/mol. Its IUPAC name is 2-[(1S)-1-[8-chloro-2-(1,3-thiazol-5-yl)quinolin-3-yl]ethyl]isoindole-1,3-dione;2-[(1S)-1-(2,8-dichloroquinolin-3-yl)ethyl]isoindole-1,3-dione;tributyl(1,3-thiazol-5-yl)stannane.

Molecular Properties

Compound Name2-[(1S)-1-[8-chloro-2-(1,3-thiazol-5-yl)quinolin-3-yl]ethyl]isoindole-1,3-dione;2-[(1S)-1-(2,8-dichloroquinolin-3-yl)ethyl]isoindole-1,3-dione;tributyl(1,3-thiazol-5-yl)stannane
PubChem CID158654648
Molecular FormulaC56H55Cl3N6O4S2Sn
Molecular Weight1165.30 g/mol
Exact Mass1164.18
IUPAC Name2-[(1S)-1-[8-chloro-2-(1,3-thiazol-5-yl)quinolin-3-yl]ethyl]isoindole-1,3-dione;2-[(1S)-1-(2,8-dichloroquinolin-3-yl)ethyl]isoindole-1,3-dione;tributyl(1,3-thiazol-5-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cncs1.C[C@@H](c1cc2cccc(Cl)c2nc1-c1cncs1)N1C(=O)c2ccccc2C1=O.C[C@@H](c1cc2cccc(Cl)c2nc1Cl)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C22H14ClN3O2S.C19H12Cl2N2O2.3C4H9.C3H2NS.Sn/c1-12(26-21(27)14-6-2-3-7-15(14)22(26)28)16-9-13-5-4-8-17(23)19(13)25-20(16)18-10-24-11-29-18;1-10(23-18(24)12-6-2-3-7-13(12)19(23)25)14-9-11-5-4-8-15(20)16(11)22-17(14)21;3*1-3-4-2;1-2-5-3-4-1;/h2-12H,1H3;2-10H,1H3;3*1,3-4H2,2H3;1,3H;/t12-;10-;;;;;/m00...../s1
InChIKeyIBZFGPMGNFPBKF-BTHCIWJPSA-N
XLogP15.47
TPSA126.32 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001165.30
LogP ≤ 515.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[(1S)-1-[8-chloro-2-(1,3-thiazol-5-yl)quinolin-3-yl]ethyl]isoindole-1,3-dione;2-[(1S)-1-(2,8-dichloroquinolin-3-yl)ethyl]isoindole-1,3-dione;tributyl(1,3-thiazol-5-yl)stannane with MolForge

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

Launch Full Analysis

Related Compounds

2-[[5-Chloro-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-4-pyridinyl]methyl]isoindole-1,3-dione;2-[(2,5-dichloro-4-pyridinyl)methyl]isoindole-1,3-dione;5-methyl-2-(trifluoromethyl)-1,3-thiazole
CID 157253852
2-((S)-1-(8-chloro-2-(thiazol-5-yl)-quinolin-3-yl)ethyl)isoindoline-1,3-dione
CID 57708048
2-[(1S)-1-[8-chloro-2-(1,3-thiazol-5-yl)quinolin-3-yl]ethyl]-3-methylideneisoindol-1-one
CID 68094058
2-[2-[8-Chloro-2-(1,3-thiazol-5-yl)quinolin-3-yl]ethyl]isoindole-1,3-dione
CID 69046610
2-[1-[8-Chloro-2-(1,3-thiazol-5-yl)quinolin-3-yl]ethyl]isoindole-1,3-dione
CID 76599387
2-[[8-Chloro-2-(1,3-thiazol-5-yl)quinolin-3-yl]methyl]isoindole-1,3-dione
CID 145483309
2-[(1S)-1-(6-chloro-2-methylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione;2-[(1S)-1-(2-methyl-6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione
CID 157195709
2-[1-(6-Chlorothieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione;2-[1-(6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione
CID 159886457
(1S)-1-[8-chloro-2-(1,3-thiazol-5-yl)quinolin-3-yl]ethanamine;2-[(1S)-1-[8-chloro-2-(1,3-thiazol-5-yl)quinolin-3-yl]ethyl]isoindole-1,3-dione
CID 161125788

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-[8-chloro-2-(1,3-thiazol-5-yl)quinolin-3-yl]ethyl]isoindole-1,3-dione;2-[(1S)-1-(2,8-dichloroquinolin-3-yl)ethyl]isoindole-1,3-dione;tributyl(1,3-thiazol-5-yl)stannane?
The IUPAC name of 2-[(1S)-1-[8-chloro-2-(1,3-thiazol-5-yl)quinolin-3-yl]ethyl]isoindole-1,3-dione;2-[(1S)-1-(2,8-dichloroquinolin-3-yl)ethyl]isoindole-1,3-dione;tributyl(1,3-thiazol-5-yl)stannane (CID 158654648) is 2-[(1S)-1-[8-chloro-2-(1,3-thiazol-5-yl)quinolin-3-yl]ethyl]isoindole-1,3-dione;2-[(1S)-1-(2,8-dichloroquinolin-3-yl)ethyl]isoindole-1,3-dione;tributyl(1,3-thiazol-5-yl)stannane.
What is the SMILES notation for 2-[(1S)-1-[8-chloro-2-(1,3-thiazol-5-yl)quinolin-3-yl]ethyl]isoindole-1,3-dione;2-[(1S)-1-(2,8-dichloroquinolin-3-yl)ethyl]isoindole-1,3-dione;tributyl(1,3-thiazol-5-yl)stannane?
The canonical SMILES for 2-[(1S)-1-[8-chloro-2-(1,3-thiazol-5-yl)quinolin-3-yl]ethyl]isoindole-1,3-dione;2-[(1S)-1-(2,8-dichloroquinolin-3-yl)ethyl]isoindole-1,3-dione;tributyl(1,3-thiazol-5-yl)stannane is CCCC[Sn](CCCC)(CCCC)c1cncs1.C[C@@H](c1cc2cccc(Cl)c2nc1-c1cncs1)N1C(=O)c2ccccc2C1=O.C[C@@H](c1cc2cccc(Cl)c2nc1Cl)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[(1S)-1-[8-chloro-2-(1,3-thiazol-5-yl)quinolin-3-yl]ethyl]isoindole-1,3-dione;2-[(1S)-1-(2,8-dichloroquinolin-3-yl)ethyl]isoindole-1,3-dione;tributyl(1,3-thiazol-5-yl)stannane?
The InChIKey is IBZFGPMGNFPBKF-BTHCIWJPSA-N. The full InChI is InChI=1S/C22H14ClN3O2S.C19H12Cl2N2O2.3C4H9.C3H2NS.Sn/c1-12(26-21(27)14-6-2-3-7-15(14)22(26)28)16-9-13-5-4-8-17(23)19(13)25-20(16)18-10-24-11-29-18;1-10(23-18(24)12-6-2-3-7-13(12)19(23)25)14-9-11-5-4-8-15(20)16(11)22-17(14)21;3*1-3-4-2;1-2-5-3-4-1;/h2-12H,1H3;2-10H,1H3;3*1,3-4H2,2H3;1,3H;/t12-;10-;;;;;/m00...../s1.
What are the key properties of 2-[(1S)-1-[8-chloro-2-(1,3-thiazol-5-yl)quinolin-3-yl]ethyl]isoindole-1,3-dione;2-[(1S)-1-(2,8-dichloroquinolin-3-yl)ethyl]isoindole-1,3-dione;tributyl(1,3-thiazol-5-yl)stannane?
2-[(1S)-1-[8-chloro-2-(1,3-thiazol-5-yl)quinolin-3-yl]ethyl]isoindole-1,3-dione;2-[(1S)-1-(2,8-dichloroquinolin-3-yl)ethyl]isoindole-1,3-dione;tributyl(1,3-thiazol-5-yl)stannane has a molecular weight of 1165.30 g/mol, XLogP of 15.47, 15 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-[8-chloro-2-(1,3-thiazol-5-yl)quinolin-3-yl]ethyl]isoindole-1,3-dione;2-[(1S)-1-(2,8-dichloroquinolin-3-yl)ethyl]isoindole-1,3-dione;tributyl(1,3-thiazol-5-yl)stannane is sourced from PubChem (CID 158654648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).