2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide

C16H22N2OS — CID 118762697

IUPAC2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide
SMILESCc1csc(CCCNC(=O)C[C@@H]2C[C@@H]3C=C[C@H]2C3)n1
InChIInChI=1S/C16H22N2OS/c1-11-10-20-16(18-11)3-2-6-17-15(19)9-14-8-12-4-5-13(14)7-12/h4-5,10,12-14H,2-3,6-9H2,1H3,(H,17,19)/t12-,13+,14+/m1/s1
InChIKeyQRKPIVUSWOTAAM-RDBSUJKOSA-N
MW290.43 g/mol
LogP3.10
Rot. Bonds6

About 2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide

2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide (PubChem CID 118762697) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide.

Molecular Properties

Compound Name2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide
PubChem CID118762697
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide
SMILESCc1csc(CCCNC(=O)C[C@@H]2C[C@@H]3C=C[C@H]2C3)n1
InChIInChI=1S/C16H22N2OS/c1-11-10-20-16(18-11)3-2-6-17-15(19)9-14-8-12-4-5-13(14)7-12/h4-5,10,12-14H,2-3,6-9H2,1H3,(H,17,19)/t12-,13+,14+/m1/s1
InChIKeyQRKPIVUSWOTAAM-RDBSUJKOSA-N
XLogP3.10
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide 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-bicyclo[2.2.1]hept-5-enyl)-N-butylacetamide
CID 20649897
N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pent-3-enamide
CID 171145739
trans-(1R,2R)-2-[4-(4-methyl-1,3-thiazol-2-yl)butylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125119577
N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
CID 125174351
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 63239882
2-[4-(4-methyl-1,3-thiazol-2-yl)butylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975907
2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 91774953
4-hydroxy-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]pyrrolidine-2-carboxamide
CID 119875317
3-(4-methyl-1,3-thiazol-2-yl)-N-(3-phenylpropyl)propanamide
CID 110388471
2-(furan-2-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide
CID 110484644
2-(4-chlorophenoxy)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide
CID 110442694
(3S)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]oxolane-3-carboxamide
CID 124527551

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide?
The IUPAC name of 2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide (CID 118762697) is 2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide.
What is the SMILES notation for 2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide?
The canonical SMILES for 2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide is Cc1csc(CCCNC(=O)C[C@@H]2C[C@@H]3C=C[C@H]2C3)n1.
What is the InChIKey of 2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide?
The InChIKey is QRKPIVUSWOTAAM-RDBSUJKOSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-11-10-20-16(18-11)3-2-6-17-15(19)9-14-8-12-4-5-13(14)7-12/h4-5,10,12-14H,2-3,6-9H2,1H3,(H,17,19)/t12-,13+,14+/m1/s1.
What are the key properties of 2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide?
2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide has a molecular weight of 290.43 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide is sourced from PubChem (CID 118762697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).