2-bromo-5-methyl-1,3-thiazole;2-chloro-1,5-naphthyridine;2-methyl-1,5-naphthyridine;5-methyl-2-(1,5-naphthyridin-2-yl)-1,3-thiazole;5-methyl-2-(5,6,7,8-tetrahydroquinolin-2-yl)-1,3-thiazole

C46H40BrClN10S3 — CID 159696514

IUPAC2-bromo-5-methyl-1,3-thiazole;2-chloro-1,5-naphthyridine;2-methyl-1,5-naphthyridine;5-methyl-2-(1,5-naphthyridin-2-yl)-1,3-thiazole;5-methyl-2-(5,6,7,8-tetrahydroquinolin-2-yl)-1,3-thiazole
SMILESCc1ccc2ncccc2n1.Cc1cnc(-c2ccc3c(n2)CCCC3)s1.Cc1cnc(-c2ccc3ncccc3n2)s1.Cc1cnc(Br)s1.Clc1ccc2ncccc2n1
InChIInChI=1S/C13H14N2S.C12H9N3S.C9H8N2.C8H5ClN2.C4H4BrNS/c1-9-8-14-13(16-9)12-7-6-10-4-2-3-5-11(10)15-12;1-8-7-14-12(16-8)11-5-4-9-10(15-11)3-2-6-13-9;1-7-4-5-8-9(11-7)3-2-6-10-8;9-8-4-3-6-7(11-8)2-1-5-10-6;1-3-2-6-4(5)7-3/h6-8H,2-5H2,1H3;2-7H,1H3;2-6H,1H3;1-5H;2H,1H3
InChIKeyMXBQQFNPRFTQNW-UHFFFAOYSA-N
MW944.45 g/mol
LogP12.89
Rot. Bonds2

About 2-bromo-5-methyl-1,3-thiazole;2-chloro-1,5-naphthyridine;2-methyl-1,5-naphthyridine;5-methyl-2-(1,5-naphthyridin-2-yl)-1,3-thiazole;5-methyl-2-(5,6,7,8-tetrahydroquinolin-2-yl)-1,3-thiazole

2-bromo-5-methyl-1,3-thiazole;2-chloro-1,5-naphthyridine;2-methyl-1,5-naphthyridine;5-methyl-2-(1,5-naphthyridin-2-yl)-1,3-thiazole;5-methyl-2-(5,6,7,8-tetrahydroquinolin-2-yl)-1,3-thiazole (PubChem CID 159696514) has the molecular formula C46H40BrClN10S3 and a molecular weight of 944.45 g/mol. Its IUPAC name is 2-bromo-5-methyl-1,3-thiazole;2-chloro-1,5-naphthyridine;2-methyl-1,5-naphthyridine;5-methyl-2-(1,5-naphthyridin-2-yl)-1,3-thiazole;5-methyl-2-(5,6,7,8-tetrahydroquinolin-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-bromo-5-methyl-1,3-thiazole;2-chloro-1,5-naphthyridine;2-methyl-1,5-naphthyridine;5-methyl-2-(1,5-naphthyridin-2-yl)-1,3-thiazole;5-methyl-2-(5,6,7,8-tetrahydroquinolin-2-yl)-1,3-thiazole
PubChem CID159696514
Molecular FormulaC46H40BrClN10S3
Molecular Weight944.45 g/mol
Exact Mass942.15
IUPAC Name2-bromo-5-methyl-1,3-thiazole;2-chloro-1,5-naphthyridine;2-methyl-1,5-naphthyridine;5-methyl-2-(1,5-naphthyridin-2-yl)-1,3-thiazole;5-methyl-2-(5,6,7,8-tetrahydroquinolin-2-yl)-1,3-thiazole
SMILESCc1ccc2ncccc2n1.Cc1cnc(-c2ccc3c(n2)CCCC3)s1.Cc1cnc(-c2ccc3ncccc3n2)s1.Cc1cnc(Br)s1.Clc1ccc2ncccc2n1
InChIInChI=1S/C13H14N2S.C12H9N3S.C9H8N2.C8H5ClN2.C4H4BrNS/c1-9-8-14-13(16-9)12-7-6-10-4-2-3-5-11(10)15-12;1-8-7-14-12(16-8)11-5-4-9-10(15-11)3-2-6-13-9;1-7-4-5-8-9(11-7)3-2-6-10-8;9-8-4-3-6-7(11-8)2-1-5-10-6;1-3-2-6-4(5)7-3/h6-8H,2-5H2,1H3;2-7H,1H3;2-6H,1H3;1-5H;2H,1H3
InChIKeyMXBQQFNPRFTQNW-UHFFFAOYSA-N
XLogP12.89
TPSA128.90 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds2
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500944.45
LogP ≤ 512.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 2-bromo-5-methyl-1,3-thiazole;2-chloro-1,5-naphthyridine;2-methyl-1,5-naphthyridine;5-methyl-2-(1,5-naphthyridin-2-yl)-1,3-thiazole;5-methyl-2-(5,6,7,8-tetrahydroquinolin-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 2-bromo-5-methyl-1,3-thiazole;2-chloro-1,5-naphthyridine;2-methyl-1,5-naphthyridine;5-methyl-2-(1,5-naphthyridin-2-yl)-1,3-thiazole;5-methyl-2-(5,6,7,8-tetrahydroquinolin-2-yl)-1,3-thiazole?
The IUPAC name of 2-bromo-5-methyl-1,3-thiazole;2-chloro-1,5-naphthyridine;2-methyl-1,5-naphthyridine;5-methyl-2-(1,5-naphthyridin-2-yl)-1,3-thiazole;5-methyl-2-(5,6,7,8-tetrahydroquinolin-2-yl)-1,3-thiazole (CID 159696514) is 2-bromo-5-methyl-1,3-thiazole;2-chloro-1,5-naphthyridine;2-methyl-1,5-naphthyridine;5-methyl-2-(1,5-naphthyridin-2-yl)-1,3-thiazole;5-methyl-2-(5,6,7,8-tetrahydroquinolin-2-yl)-1,3-thiazole.
What is the SMILES notation for 2-bromo-5-methyl-1,3-thiazole;2-chloro-1,5-naphthyridine;2-methyl-1,5-naphthyridine;5-methyl-2-(1,5-naphthyridin-2-yl)-1,3-thiazole;5-methyl-2-(5,6,7,8-tetrahydroquinolin-2-yl)-1,3-thiazole?
The canonical SMILES for 2-bromo-5-methyl-1,3-thiazole;2-chloro-1,5-naphthyridine;2-methyl-1,5-naphthyridine;5-methyl-2-(1,5-naphthyridin-2-yl)-1,3-thiazole;5-methyl-2-(5,6,7,8-tetrahydroquinolin-2-yl)-1,3-thiazole is Cc1ccc2ncccc2n1.Cc1cnc(-c2ccc3c(n2)CCCC3)s1.Cc1cnc(-c2ccc3ncccc3n2)s1.Cc1cnc(Br)s1.Clc1ccc2ncccc2n1.
What is the InChIKey of 2-bromo-5-methyl-1,3-thiazole;2-chloro-1,5-naphthyridine;2-methyl-1,5-naphthyridine;5-methyl-2-(1,5-naphthyridin-2-yl)-1,3-thiazole;5-methyl-2-(5,6,7,8-tetrahydroquinolin-2-yl)-1,3-thiazole?
The InChIKey is MXBQQFNPRFTQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2S.C12H9N3S.C9H8N2.C8H5ClN2.C4H4BrNS/c1-9-8-14-13(16-9)12-7-6-10-4-2-3-5-11(10)15-12;1-8-7-14-12(16-8)11-5-4-9-10(15-11)3-2-6-13-9;1-7-4-5-8-9(11-7)3-2-6-10-8;9-8-4-3-6-7(11-8)2-1-5-10-6;1-3-2-6-4(5)7-3/h6-8H,2-5H2,1H3;2-7H,1H3;2-6H,1H3;1-5H;2H,1H3.
What are the key properties of 2-bromo-5-methyl-1,3-thiazole;2-chloro-1,5-naphthyridine;2-methyl-1,5-naphthyridine;5-methyl-2-(1,5-naphthyridin-2-yl)-1,3-thiazole;5-methyl-2-(5,6,7,8-tetrahydroquinolin-2-yl)-1,3-thiazole?
2-bromo-5-methyl-1,3-thiazole;2-chloro-1,5-naphthyridine;2-methyl-1,5-naphthyridine;5-methyl-2-(1,5-naphthyridin-2-yl)-1,3-thiazole;5-methyl-2-(5,6,7,8-tetrahydroquinolin-2-yl)-1,3-thiazole has a molecular weight of 944.45 g/mol, XLogP of 12.89, 2 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methyl-1,3-thiazole;2-chloro-1,5-naphthyridine;2-methyl-1,5-naphthyridine;5-methyl-2-(1,5-naphthyridin-2-yl)-1,3-thiazole;5-methyl-2-(5,6,7,8-tetrahydroquinolin-2-yl)-1,3-thiazole is sourced from PubChem (CID 159696514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).