5-(bromomethyl)-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazole

C11H17BrN2S — CID 82424746

IUPAC5-(bromomethyl)-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazole
SMILESCC1CCCN(Cc2ncc(CBr)s2)C1
InChIInChI=1S/C11H17BrN2S/c1-9-3-2-4-14(7-9)8-11-13-6-10(5-12)15-11/h6,9H,2-5,7-8H2,1H3
InChIKeyFVJKWVMPXDRGHA-UHFFFAOYSA-N
MW289.24 g/mol
LogP3.27
Rot. Bonds3

About 5-(bromomethyl)-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazole

5-(bromomethyl)-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazole (PubChem CID 82424746) has the molecular formula C11H17BrN2S and a molecular weight of 289.24 g/mol. Its IUPAC name is 5-(bromomethyl)-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-(bromomethyl)-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazole
PubChem CID82424746
Molecular FormulaC11H17BrN2S
Molecular Weight289.24 g/mol
Exact Mass288.03
IUPAC Name5-(bromomethyl)-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazole
SMILESCC1CCCN(Cc2ncc(CBr)s2)C1
InChIInChI=1S/C11H17BrN2S/c1-9-3-2-4-14(7-9)8-11-13-6-10(5-12)15-11/h6,9H,2-5,7-8H2,1H3
InChIKeyFVJKWVMPXDRGHA-UHFFFAOYSA-N
XLogP3.27
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-2-[(3-methylazetidin-1-yl)methyl]-1,3-thiazole
CID 131020524
[5-[(3-methylpiperidin-1-yl)methyl]thiophen-2-yl]methanamine
CID 107555522
[4-methyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanamine
CID 82427494
2-methyl-N-[[2-[2-(3-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82424993
2-[4-ethyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol
CID 82430536
N-methyl-1-[2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]methanamine
CID 82193978
[4-(methoxymethyl)-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanol
CID 82441519
2-[2-[(3-methylpiperidin-1-yl)methyl]-4-propyl-1,3-thiazol-5-yl]propan-2-ol
CID 82432994
[4-cyclopropyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanol
CID 82437638
(3R)-1-[(4-fluorophenyl)methyl]-3-methylpiperidine
CID 51531587
4-[(3-methylpiperidin-1-yl)methyl]pyridine
CID 121401070
5-[[(3R)-3-methylpiperidin-1-yl]methyl]thiophene-2-carboxylic acid
CID 51861568

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 5-(bromomethyl)-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazole (CID 82424746) is 5-(bromomethyl)-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 5-(bromomethyl)-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 5-(bromomethyl)-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazole is CC1CCCN(Cc2ncc(CBr)s2)C1.
What is the InChIKey of 5-(bromomethyl)-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazole?
The InChIKey is FVJKWVMPXDRGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2S/c1-9-3-2-4-14(7-9)8-11-13-6-10(5-12)15-11/h6,9H,2-5,7-8H2,1H3.
What are the key properties of 5-(bromomethyl)-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazole?
5-(bromomethyl)-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazole has a molecular weight of 289.24 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 82424746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).