2-bromo-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride

C15H17BrClN3OS — CID 44827061

IUPAC2-bromo-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride
SMILESCCN1CCc2nc(NC(=O)c3ccccc3Br)sc2C1.Cl
InChIInChI=1S/C15H16BrN3OS.ClH/c1-2-19-8-7-12-13(9-19)21-15(17-12)18-14(20)10-5-3-4-6-11(10)16;/h3-6H,2,7-9H2,1H3,(H,17,18,20);1H
InChIKeyOKVIAPRKJCLEGT-UHFFFAOYSA-N
MW402.75 g/mol
LogP3.96
Rot. Bonds3

About 2-bromo-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride

2-bromo-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride (PubChem CID 44827061) has the molecular formula C15H17BrClN3OS and a molecular weight of 402.75 g/mol. Its IUPAC name is 2-bromo-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride.

Molecular Properties

Compound Name2-bromo-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride
PubChem CID44827061
Molecular FormulaC15H17BrClN3OS
Molecular Weight402.75 g/mol
Exact Mass401.00
IUPAC Name2-bromo-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride
SMILESCCN1CCc2nc(NC(=O)c3ccccc3Br)sc2C1.Cl
InChIInChI=1S/C15H16BrN3OS.ClH/c1-2-19-8-7-12-13(9-19)21-15(17-12)18-14(20)10-5-3-4-6-11(10)16;/h3-6H,2,7-9H2,1H3,(H,17,18,20);1H
InChIKeyOKVIAPRKJCLEGT-UHFFFAOYSA-N
XLogP3.96
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.75
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-bromo-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride 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-amino-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 119946095
2-bromo-N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 90532446
5-amino-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)naphthalene-1-carboxamide
CID 167840338
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 86917165
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-morpholin-4-ylpyridine-3-carboxamide
CID 78821805
2-(difluoromethoxy)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-methoxybenzamide
CID 78772886
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-methyl-5-methylsulfonylbenzamide
CID 29412679
2-[(4-cyanophenyl)methylsulfanyl]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 78772840
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 29412625
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2-phenylacetyl)amino]propanamide
CID 29413491
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-ethylsulfonylbenzamide
CID 26841185
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(4-phenylphenyl)acetamide
CID 29412794

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride?
The IUPAC name of 2-bromo-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride (CID 44827061) is 2-bromo-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride.
What is the SMILES notation for 2-bromo-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride?
The canonical SMILES for 2-bromo-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride is CCN1CCc2nc(NC(=O)c3ccccc3Br)sc2C1.Cl.
What is the InChIKey of 2-bromo-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride?
The InChIKey is OKVIAPRKJCLEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3OS.ClH/c1-2-19-8-7-12-13(9-19)21-15(17-12)18-14(20)10-5-3-4-6-11(10)16;/h3-6H,2,7-9H2,1H3,(H,17,18,20);1H.
What are the key properties of 2-bromo-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride?
2-bromo-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride has a molecular weight of 402.75 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride is sourced from PubChem (CID 44827061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).