5-bromo-N-methyl-N-(3-phenylmethoxypropyl)-1,3-thiazol-2-amine

C14H17BrN2OS — CID 178026029

IUPAC5-bromo-N-methyl-N-(3-phenylmethoxypropyl)-1,3-thiazol-2-amine
SMILESCN(CCCOCc1ccccc1)c1ncc(Br)s1
InChIInChI=1S/C14H17BrN2OS/c1-17(14-16-10-13(15)19-14)8-5-9-18-11-12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9,11H2,1H3
InChIKeyBKPNHNNGPJPJIC-UHFFFAOYSA-N
MW341.27 g/mol
LogP3.95
Rot. Bonds7

About 5-bromo-N-methyl-N-(3-phenylmethoxypropyl)-1,3-thiazol-2-amine

5-bromo-N-methyl-N-(3-phenylmethoxypropyl)-1,3-thiazol-2-amine (PubChem CID 178026029) has the molecular formula C14H17BrN2OS and a molecular weight of 341.27 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-(3-phenylmethoxypropyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-methyl-N-(3-phenylmethoxypropyl)-1,3-thiazol-2-amine
PubChem CID178026029
Molecular FormulaC14H17BrN2OS
Molecular Weight341.27 g/mol
Exact Mass340.02
IUPAC Name5-bromo-N-methyl-N-(3-phenylmethoxypropyl)-1,3-thiazol-2-amine
SMILESCN(CCCOCc1ccccc1)c1ncc(Br)s1
InChIInChI=1S/C14H17BrN2OS/c1-17(14-16-10-13(15)19-14)8-5-9-18-11-12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9,11H2,1H3
InChIKeyBKPNHNNGPJPJIC-UHFFFAOYSA-N
XLogP3.95
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.27
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromopentoxymethylbenzene;1,5-dibromopentane
CID 161240377
15-bromopentadecoxymethylbenzene
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3-[(5-bromo-1,3-thiazol-2-yl)oxy]-N,N-dimethylpropan-1-amine
CID 135198524
N,2-dimethyl-N-(2-phenylmethoxyethyl)propan-2-amine
CID 23381577
tribromo(3-phenylmethoxypropyl)silane
CID 66954985
2,4,6-tris(4-phenylmethoxybutoxy)-1,3,5-triazine
CID 139880669
6-[methyl(3-phenylmethoxypropyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 136539911
1,2-dimethyl-1-(3-phenylmethoxypropyl)guanidine
CID 130767400
butoxymethylbenzene;ethane
CID 145341806
methanidyl-methyl-(3-phenylmethoxypropyl)azanium
CID 155624899
5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene
CID 135358353
(6-bromo-5-methylhexoxy)methylbenzene
CID 130588716

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-(3-phenylmethoxypropyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-bromo-N-methyl-N-(3-phenylmethoxypropyl)-1,3-thiazol-2-amine (CID 178026029) is 5-bromo-N-methyl-N-(3-phenylmethoxypropyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-bromo-N-methyl-N-(3-phenylmethoxypropyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-bromo-N-methyl-N-(3-phenylmethoxypropyl)-1,3-thiazol-2-amine is CN(CCCOCc1ccccc1)c1ncc(Br)s1.
What is the InChIKey of 5-bromo-N-methyl-N-(3-phenylmethoxypropyl)-1,3-thiazol-2-amine?
The InChIKey is BKPNHNNGPJPJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2OS/c1-17(14-16-10-13(15)19-14)8-5-9-18-11-12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9,11H2,1H3.
What are the key properties of 5-bromo-N-methyl-N-(3-phenylmethoxypropyl)-1,3-thiazol-2-amine?
5-bromo-N-methyl-N-(3-phenylmethoxypropyl)-1,3-thiazol-2-amine has a molecular weight of 341.27 g/mol, XLogP of 3.95, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-(3-phenylmethoxypropyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 178026029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).