2-[2-(2-bicyclo[2.2.1]hept-5-enylamino)-4-hydroxy-1,3-thiazol-5-yl]-N-(4-bromophenyl)propanamide

C19H20BrN3O2S — CID 91199494

IUPAC2-[2-(2-bicyclo[2.2.1]hept-5-enylamino)-4-hydroxy-1,3-thiazol-5-yl]-N-(4-bromophenyl)propanamide
SMILESCC(C(=O)Nc1ccc(Br)cc1)c1sc(NC2CC3C=CC2C3)nc1O
InChIInChI=1S/C19H20BrN3O2S/c1-10(17(24)21-14-6-4-13(20)5-7-14)16-18(25)23-19(26-16)22-15-9-11-2-3-12(15)8-11/h2-7,10-12,15,25H,8-9H2,1H3,(H,21,24)(H,22,23)
InChIKeyZZBYGAXCTVDQNM-UHFFFAOYSA-N
MW434.36 g/mol
LogP4.73
Rot. Bonds5

About 2-[2-(2-bicyclo[2.2.1]hept-5-enylamino)-4-hydroxy-1,3-thiazol-5-yl]-N-(4-bromophenyl)propanamide

2-[2-(2-bicyclo[2.2.1]hept-5-enylamino)-4-hydroxy-1,3-thiazol-5-yl]-N-(4-bromophenyl)propanamide (PubChem CID 91199494) has the molecular formula C19H20BrN3O2S and a molecular weight of 434.36 g/mol. Its IUPAC name is 2-[2-(2-bicyclo[2.2.1]hept-5-enylamino)-4-hydroxy-1,3-thiazol-5-yl]-N-(4-bromophenyl)propanamide.

Molecular Properties

Compound Name2-[2-(2-bicyclo[2.2.1]hept-5-enylamino)-4-hydroxy-1,3-thiazol-5-yl]-N-(4-bromophenyl)propanamide
PubChem CID91199494
Molecular FormulaC19H20BrN3O2S
Molecular Weight434.36 g/mol
Exact Mass433.05
IUPAC Name2-[2-(2-bicyclo[2.2.1]hept-5-enylamino)-4-hydroxy-1,3-thiazol-5-yl]-N-(4-bromophenyl)propanamide
SMILESCC(C(=O)Nc1ccc(Br)cc1)c1sc(NC2CC3C=CC2C3)nc1O
InChIInChI=1S/C19H20BrN3O2S/c1-10(17(24)21-14-6-4-13(20)5-7-14)16-18(25)23-19(26-16)22-15-9-11-2-3-12(15)8-11/h2-7,10-12,15,25H,8-9H2,1H3,(H,21,24)(H,22,23)
InChIKeyZZBYGAXCTVDQNM-UHFFFAOYSA-N
XLogP4.73
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.36
LogP ≤ 54.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[2-(2-bicyclo[2.2.1]hept-5-enylamino)-4-hydroxy-1,3-thiazol-5-yl]-N-(4-bromophenyl)propanamide 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-[2-(2-bicyclo[2.2.1]hept-5-enylamino)-4-hydroxy-1,3-thiazol-5-yl]-N-(1H-indazol-6-yl)acetamide
CID 91210018
(2S)-2-(1-adamantylamino)-N-(4-bromophenyl)propanamide
CID 9358485
2-[2-(2-bicyclo[2.2.1]hept-5-enylamino)-4-hydroxy-1,3-thiazol-5-yl]-N-methyl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 90864941
[(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl] adamantane-1-carboxylate
CID 7873763
2-[2-[2-(2-bicyclo[2.2.1]hept-5-enylamino)-4-hydroxy-1,3-thiazol-5-yl]ethyl]-4-chloro-3-nitrobenzoic acid
CID 90765904
1-(4-bromophenyl)-3-propan-2-ylurea
CID 3403454
N-(6-bromo-3-pyridinyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 103809869
N-(4-bromophenyl)-2-piperazin-1-ylpropanamide
CID 43089557
4-(4-bromoanilino)-2,3-dihydroxy-4-oxobutanoic acid
CID 598830
4-bromo-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 42120723
N-(4-acetamidophenyl)-2-bromo-5-propan-2-yl-1,3-thiazole-4-carboxamide
CID 71703340
N-(4-methylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 42906596

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-bicyclo[2.2.1]hept-5-enylamino)-4-hydroxy-1,3-thiazol-5-yl]-N-(4-bromophenyl)propanamide?
The IUPAC name of 2-[2-(2-bicyclo[2.2.1]hept-5-enylamino)-4-hydroxy-1,3-thiazol-5-yl]-N-(4-bromophenyl)propanamide (CID 91199494) is 2-[2-(2-bicyclo[2.2.1]hept-5-enylamino)-4-hydroxy-1,3-thiazol-5-yl]-N-(4-bromophenyl)propanamide.
What is the SMILES notation for 2-[2-(2-bicyclo[2.2.1]hept-5-enylamino)-4-hydroxy-1,3-thiazol-5-yl]-N-(4-bromophenyl)propanamide?
The canonical SMILES for 2-[2-(2-bicyclo[2.2.1]hept-5-enylamino)-4-hydroxy-1,3-thiazol-5-yl]-N-(4-bromophenyl)propanamide is CC(C(=O)Nc1ccc(Br)cc1)c1sc(NC2CC3C=CC2C3)nc1O.
What is the InChIKey of 2-[2-(2-bicyclo[2.2.1]hept-5-enylamino)-4-hydroxy-1,3-thiazol-5-yl]-N-(4-bromophenyl)propanamide?
The InChIKey is ZZBYGAXCTVDQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN3O2S/c1-10(17(24)21-14-6-4-13(20)5-7-14)16-18(25)23-19(26-16)22-15-9-11-2-3-12(15)8-11/h2-7,10-12,15,25H,8-9H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 2-[2-(2-bicyclo[2.2.1]hept-5-enylamino)-4-hydroxy-1,3-thiazol-5-yl]-N-(4-bromophenyl)propanamide?
2-[2-(2-bicyclo[2.2.1]hept-5-enylamino)-4-hydroxy-1,3-thiazol-5-yl]-N-(4-bromophenyl)propanamide has a molecular weight of 434.36 g/mol, XLogP of 4.73, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bicyclo[2.2.1]hept-5-enylamino)-4-hydroxy-1,3-thiazol-5-yl]-N-(4-bromophenyl)propanamide is sourced from PubChem (CID 91199494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).