3-[(5-bromo-1,3-thiazol-2-yl)oxy]-N,N-dimethylpropan-1-amine

C8H13BrN2OS — CID 135198524

IUPAC3-[(5-bromo-1,3-thiazol-2-yl)oxy]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOc1ncc(Br)s1
InChIInChI=1S/C8H13BrN2OS/c1-11(2)4-3-5-12-8-10-6-7(9)13-8/h6H,3-5H2,1-2H3
InChIKeyKFGOALQTLRPWHE-UHFFFAOYSA-N
MW265.18 g/mol
LogP2.24
Rot. Bonds5

About 3-[(5-bromo-1,3-thiazol-2-yl)oxy]-N,N-dimethylpropan-1-amine

3-[(5-bromo-1,3-thiazol-2-yl)oxy]-N,N-dimethylpropan-1-amine (PubChem CID 135198524) has the molecular formula C8H13BrN2OS and a molecular weight of 265.18 g/mol. Its IUPAC name is 3-[(5-bromo-1,3-thiazol-2-yl)oxy]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[(5-bromo-1,3-thiazol-2-yl)oxy]-N,N-dimethylpropan-1-amine
PubChem CID135198524
Molecular FormulaC8H13BrN2OS
Molecular Weight265.18 g/mol
Exact Mass263.99
IUPAC Name3-[(5-bromo-1,3-thiazol-2-yl)oxy]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOc1ncc(Br)s1
InChIInChI=1S/C8H13BrN2OS/c1-11(2)4-3-5-12-8-10-6-7(9)13-8/h6H,3-5H2,1-2H3
InChIKeyKFGOALQTLRPWHE-UHFFFAOYSA-N
XLogP2.24
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.18
LogP ≤ 52.24
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

2-[2-(dimethylamino)ethoxy]-1,3-thiazol-5-amine
CID 102769438
N,N-dimethyl-3-(5-methylpyrimidin-2-yl)oxypropan-1-amine
CID 90925025
5-bromo-N-methyl-N-(3-phenylmethoxypropyl)-1,3-thiazol-2-amine
CID 178026029
3-[(3-bromo-5-chloro-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine
CID 114837675
5-bromo-4-[3-(dimethylamino)propoxy]pyridin-3-amine
CID 103518774
3-(5-ethylthiophen-2-yl)oxy-N,N-dimethylpropan-1-amine
CID 123794128
4-[3-(dimethylamino)propoxy]pyrimidin-5-amine
CID 79919093
3-(5-bromo-2-chlorophenoxy)-N,N-dimethylpropan-1-amine
CID 114525429
6-bromo-4-[3-(dimethylamino)propoxy]quinolin-3-amine
CID 61102494
N,N-dimethyl-3-pyrimidin-4-yloxypropan-1-amine
CID 123632919
2-[3-(dimethylamino)propoxy]-N-(2-ethylphenyl)-[1,3]thiazolo[5,4-b]pyridin-7-amine
CID 141100289
3-(2-chloro-5-methylpyrimidin-4-yl)oxy-N,N-dimethylpropan-1-amine
CID 79076859

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-1,3-thiazol-2-yl)oxy]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[(5-bromo-1,3-thiazol-2-yl)oxy]-N,N-dimethylpropan-1-amine (CID 135198524) is 3-[(5-bromo-1,3-thiazol-2-yl)oxy]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[(5-bromo-1,3-thiazol-2-yl)oxy]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[(5-bromo-1,3-thiazol-2-yl)oxy]-N,N-dimethylpropan-1-amine is CN(C)CCCOc1ncc(Br)s1.
What is the InChIKey of 3-[(5-bromo-1,3-thiazol-2-yl)oxy]-N,N-dimethylpropan-1-amine?
The InChIKey is KFGOALQTLRPWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrN2OS/c1-11(2)4-3-5-12-8-10-6-7(9)13-8/h6H,3-5H2,1-2H3.
What are the key properties of 3-[(5-bromo-1,3-thiazol-2-yl)oxy]-N,N-dimethylpropan-1-amine?
3-[(5-bromo-1,3-thiazol-2-yl)oxy]-N,N-dimethylpropan-1-amine has a molecular weight of 265.18 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-1,3-thiazol-2-yl)oxy]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 135198524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).