N-(4-bromophenyl)-2-(3,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide

C21H20BrN3O3S — CID 53060396

IUPACN-(4-bromophenyl)-2-(3,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
SMILESCOc1ccc(-c2nc3c(s2)CN(C(=O)Nc2ccc(Br)cc2)CC3)cc1OC
InChIInChI=1S/C21H20BrN3O3S/c1-27-17-8-3-13(11-18(17)28-2)20-24-16-9-10-25(12-19(16)29-20)21(26)23-15-6-4-14(22)5-7-15/h3-8,11H,9-10,12H2,1-2H3,(H,23,26)
InChIKeyDJCFFNQJJQEBHM-UHFFFAOYSA-N
MW474.38 g/mol
LogP5.18
Rot. Bonds4

About N-(4-bromophenyl)-2-(3,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide

N-(4-bromophenyl)-2-(3,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide (PubChem CID 53060396) has the molecular formula C21H20BrN3O3S and a molecular weight of 474.38 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(3,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(3,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
PubChem CID53060396
Molecular FormulaC21H20BrN3O3S
Molecular Weight474.38 g/mol
Exact Mass473.04
IUPAC NameN-(4-bromophenyl)-2-(3,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
SMILESCOc1ccc(-c2nc3c(s2)CN(C(=O)Nc2ccc(Br)cc2)CC3)cc1OC
InChIInChI=1S/C21H20BrN3O3S/c1-27-17-8-3-13(11-18(17)28-2)20-24-16-9-10-25(12-19(16)29-20)21(26)23-15-6-4-14(22)5-7-15/h3-8,11H,9-10,12H2,1-2H3,(H,23,26)
InChIKeyDJCFFNQJJQEBHM-UHFFFAOYSA-N
XLogP5.18
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.38
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-bromophenyl)-2-(3,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide 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-(3-methoxyphenyl)-N-(4-methylphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 53033117
[2-(3,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-phenylmethanone
CID 50770228
N-(3,4-dimethylphenyl)-2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 53033115
N-(2,4-dimethoxyphenyl)-2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 53060372
N-(5-chloro-2,4-dimethoxyphenyl)-2-(4-methylphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 53060376
2-(4-ethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 53060365
2-N-(3,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2,5-dicarboxamide
CID 66864763
N-(3,4-dimethoxyphenyl)-2-(pyridine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90528632
2-(3,4-dimethoxyphenyl)-5-(3,4-dimethoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 53060468
N-(2,4-dimethylphenyl)-2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 53033124
methyl N-[5-[(4-tert-butylphenyl)carbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90529140
2-N-(2-amino-5-thiophen-3-ylphenyl)-5-N-(4-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2,5-dicarboxamide
CID 66865016

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(3,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
The IUPAC name of N-(4-bromophenyl)-2-(3,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide (CID 53060396) is N-(4-bromophenyl)-2-(3,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(3,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-2-(3,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide is COc1ccc(-c2nc3c(s2)CN(C(=O)Nc2ccc(Br)cc2)CC3)cc1OC.
What is the InChIKey of N-(4-bromophenyl)-2-(3,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
The InChIKey is DJCFFNQJJQEBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrN3O3S/c1-27-17-8-3-13(11-18(17)28-2)20-24-16-9-10-25(12-19(16)29-20)21(26)23-15-6-4-14(22)5-7-15/h3-8,11H,9-10,12H2,1-2H3,(H,23,26).
What are the key properties of N-(4-bromophenyl)-2-(3,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
N-(4-bromophenyl)-2-(3,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide has a molecular weight of 474.38 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(3,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide is sourced from PubChem (CID 53060396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).