4-bromo-N-methyl-N-pentyl-1,3-thiazol-2-amine

C9H15BrN2S — CID 79398898

IUPAC4-bromo-N-methyl-N-pentyl-1,3-thiazol-2-amine
SMILESCCCCCN(C)c1nc(Br)cs1
InChIInChI=1S/C9H15BrN2S/c1-3-4-5-6-12(2)9-11-8(10)7-13-9/h7H,3-6H2,1-2H3
InChIKeyOCUUOKOCRPXIKS-UHFFFAOYSA-N
MW263.20 g/mol
LogP3.53
Rot. Bonds5

About 4-bromo-N-methyl-N-pentyl-1,3-thiazol-2-amine

4-bromo-N-methyl-N-pentyl-1,3-thiazol-2-amine (PubChem CID 79398898) has the molecular formula C9H15BrN2S and a molecular weight of 263.20 g/mol. Its IUPAC name is 4-bromo-N-methyl-N-pentyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-bromo-N-methyl-N-pentyl-1,3-thiazol-2-amine
PubChem CID79398898
Molecular FormulaC9H15BrN2S
Molecular Weight263.20 g/mol
Exact Mass262.01
IUPAC Name4-bromo-N-methyl-N-pentyl-1,3-thiazol-2-amine
SMILESCCCCCN(C)c1nc(Br)cs1
InChIInChI=1S/C9H15BrN2S/c1-3-4-5-6-12(2)9-11-8(10)7-13-9/h7H,3-6H2,1-2H3
InChIKeyOCUUOKOCRPXIKS-UHFFFAOYSA-N
XLogP3.53
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.20
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-bromo-N-methyl-N-pentyl-1,3-thiazol-2-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

N'-(4-bromo-1,3-thiazol-2-yl)-N,N,N'-trimethylpropane-1,3-diamine
CID 79399304
2-[(4-bromo-1,3-thiazol-2-yl)-methylamino]ethanol
CID 79399141
4-bromo-N-(2-ethoxyethyl)-N-methyl-1,3-thiazol-2-amine
CID 67962478
4-[(4-bromo-1,3-thiazol-2-yl)-methylamino]butan-2-ol
CID 104696832
4-bromo-N-methyl-N-(2-methylsulfonylethyl)-1,3-thiazol-2-amine
CID 79864884
4-bromo-N-methyl-N-(2-phenylethyl)-1,3-thiazol-2-amine
CID 79399432
3-[(4-bromo-1,3-thiazol-2-yl)-methylamino]propanethioamide
CID 79399462
1-[(4-bromo-1,3-thiazol-2-yl)-methylamino]-2-methylpropan-2-ol
CID 79400046
2-[(4-bromo-1,3-thiazol-2-yl)-methylamino]-N,N-dimethylacetamide
CID 79400004
4-bromo-N-methyl-N-(2-methylbutan-2-yl)-1,3-thiazol-2-amine
CID 79399798
4-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3-thiazol-2-amine
CID 79399676
2-[(4-bromo-1,3-thiazol-2-yl)-ethylamino]-N,N-dimethylacetamide
CID 79400515

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-methyl-N-pentyl-1,3-thiazol-2-amine?
The IUPAC name of 4-bromo-N-methyl-N-pentyl-1,3-thiazol-2-amine (CID 79398898) is 4-bromo-N-methyl-N-pentyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-bromo-N-methyl-N-pentyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-bromo-N-methyl-N-pentyl-1,3-thiazol-2-amine is CCCCCN(C)c1nc(Br)cs1.
What is the InChIKey of 4-bromo-N-methyl-N-pentyl-1,3-thiazol-2-amine?
The InChIKey is OCUUOKOCRPXIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN2S/c1-3-4-5-6-12(2)9-11-8(10)7-13-9/h7H,3-6H2,1-2H3.
What are the key properties of 4-bromo-N-methyl-N-pentyl-1,3-thiazol-2-amine?
4-bromo-N-methyl-N-pentyl-1,3-thiazol-2-amine has a molecular weight of 263.20 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-methyl-N-pentyl-1,3-thiazol-2-amine is sourced from PubChem (CID 79398898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).