5-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine

C10H17BrN2S — CID 107320377

IUPAC5-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine
SMILESCc1csc(CNCCCCCBr)n1
InChIInChI=1S/C10H17BrN2S/c1-9-8-14-10(13-9)7-12-6-4-2-3-5-11/h8,12H,2-7H2,1H3
InChIKeyHURCAPLKNNEXMN-UHFFFAOYSA-N
MW277.23 g/mol
LogP3.11
Rot. Bonds7

About 5-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine

5-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine (PubChem CID 107320377) has the molecular formula C10H17BrN2S and a molecular weight of 277.23 g/mol. Its IUPAC name is 5-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine.

Molecular Properties

Compound Name5-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine
PubChem CID107320377
Molecular FormulaC10H17BrN2S
Molecular Weight277.23 g/mol
Exact Mass276.03
IUPAC Name5-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine
SMILESCc1csc(CNCCCCCBr)n1
InChIInChI=1S/C10H17BrN2S/c1-9-8-14-10(13-9)7-12-6-4-2-3-5-11/h8,12H,2-7H2,1H3
InChIKeyHURCAPLKNNEXMN-UHFFFAOYSA-N
XLogP3.11
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.23
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine 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

4-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-1-amine
CID 106844765
N-[(4-methyl-1,3-thiazol-2-yl)methyl]hexan-1-amine
CID 61042868
N',N'-diethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propane-1,3-diamine
CID 78992525
2-(7-bromoheptyl)-4-methyl-1,3-thiazole
CID 71350357
2-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 80695663
methyl 4-[(4-methyl-1,3-thiazol-2-yl)methylamino]butanoate
CID 61043385
3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propane-1-sulfonamide
CID 104770025
5-bromo-N-(1,3-thiazol-2-ylmethyl)pentan-1-amine
CID 107320464
6-bromo-N-(1,3-thiazol-2-ylmethyl)hexan-1-amine
CID 107844633
2-[3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propoxy]ethanol
CID 103992433
4-[(4-methyl-1,3-thiazol-2-yl)methylamino]butan-2-ol
CID 78992704
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)propan-1-amine
CID 104770064

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine?
The IUPAC name of 5-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine (CID 107320377) is 5-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine.
What is the SMILES notation for 5-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine?
The canonical SMILES for 5-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine is Cc1csc(CNCCCCCBr)n1.
What is the InChIKey of 5-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine?
The InChIKey is HURCAPLKNNEXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN2S/c1-9-8-14-10(13-9)7-12-6-4-2-3-5-11/h8,12H,2-7H2,1H3.
What are the key properties of 5-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine?
5-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine has a molecular weight of 277.23 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine is sourced from PubChem (CID 107320377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).