N-(5-bromo-1,3-thiazol-2-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide

C11H11BrN2OS — CID 60654763

IUPACN-(5-bromo-1,3-thiazol-2-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESO=C(Nc1ncc(Br)s1)C1CC2C=CC1C2
InChIInChI=1S/C11H11BrN2OS/c12-9-5-13-11(16-9)14-10(15)8-4-6-1-2-7(8)3-6/h1-2,5-8H,3-4H2,(H,13,14,15)
InChIKeyUPGMMCAKGBAHBY-UHFFFAOYSA-N
MW299.19 g/mol
LogP3.06
Rot. Bonds2

About N-(5-bromo-1,3-thiazol-2-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide

N-(5-bromo-1,3-thiazol-2-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 60654763) has the molecular formula C11H11BrN2OS and a molecular weight of 299.19 g/mol. Its IUPAC name is N-(5-bromo-1,3-thiazol-2-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-1,3-thiazol-2-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID60654763
Molecular FormulaC11H11BrN2OS
Molecular Weight299.19 g/mol
Exact Mass297.98
IUPAC NameN-(5-bromo-1,3-thiazol-2-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESO=C(Nc1ncc(Br)s1)C1CC2C=CC1C2
InChIInChI=1S/C11H11BrN2OS/c12-9-5-13-11(16-9)14-10(15)8-4-6-1-2-7(8)3-6/h1-2,5-8H,3-4H2,(H,13,14,15)
InChIKeyUPGMMCAKGBAHBY-UHFFFAOYSA-N
XLogP3.06
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.19
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(5-bromo-1,3-thiazol-2-yl)bicyclo[2.2.1]hept-5-ene-2-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

N-(6-bromo-3-pyridinyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 103809869
(1R,2R,4R)-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 46972913
2-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid
CID 114511489
N-(5-bromo-1,3-thiazol-2-yl)cyclooctanecarboxamide
CID 65018719
4-amino-N-(5-bromo-1,3-thiazol-2-yl)cyclohexane-1-carboxamide
CID 60849806
N-(1-methylpyrazol-4-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 146085431
N-(4-methylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 42906596
N-(2-bromo-5-fluorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 113255457
(2R,5S)-5-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102944552
(1R,2R,4S)-3-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxylic acid
CID 87167281
N-(5-bromo-1,3-thiazol-2-yl)-5-methylpyrazine-2-carboxamide
CID 103602102
N-(5-bromo-1,3-thiazol-2-yl)propanamide
CID 60654828

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 60654763) is N-(5-bromo-1,3-thiazol-2-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for N-(5-bromo-1,3-thiazol-2-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for N-(5-bromo-1,3-thiazol-2-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide is O=C(Nc1ncc(Br)s1)C1CC2C=CC1C2.
What is the InChIKey of N-(5-bromo-1,3-thiazol-2-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is UPGMMCAKGBAHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2OS/c12-9-5-13-11(16-9)14-10(15)8-4-6-1-2-7(8)3-6/h1-2,5-8H,3-4H2,(H,13,14,15).
What are the key properties of N-(5-bromo-1,3-thiazol-2-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
N-(5-bromo-1,3-thiazol-2-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 299.19 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1,3-thiazol-2-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 60654763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).