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

C10H15BrN2S — CID 112644416

IUPAC5-[[2-(bromomethyl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESBrCC1CCCCN1Cc1cncs1
InChIInChI=1S/C10H15BrN2S/c11-5-9-3-1-2-4-13(9)7-10-6-12-8-14-10/h6,8-9H,1-5,7H2
InChIKeyPDUBUAIILINPNW-UHFFFAOYSA-N
MW275.21 g/mol
LogP2.89
Rot. Bonds3

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

5-[[2-(bromomethyl)piperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 112644416) has the molecular formula C10H15BrN2S and a molecular weight of 275.21 g/mol. Its IUPAC name is 5-[[2-(bromomethyl)piperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[[2-(bromomethyl)piperidin-1-yl]methyl]-1,3-thiazole
PubChem CID112644416
Molecular FormulaC10H15BrN2S
Molecular Weight275.21 g/mol
Exact Mass274.01
IUPAC Name5-[[2-(bromomethyl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESBrCC1CCCCN1Cc1cncs1
InChIInChI=1S/C10H15BrN2S/c11-5-9-3-1-2-4-13(9)7-10-6-12-8-14-10/h6,8-9H,1-5,7H2
InChIKeyPDUBUAIILINPNW-UHFFFAOYSA-N
XLogP2.89
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.21
LogP ≤ 52.89
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-[[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 129487841
2-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]acetic acid
CID 112641386
tert-butyl N-[[1-(1,3-thiazol-5-ylmethyl)piperidin-2-yl]methyl]carbamate
CID 71632263
2-methyl-1-(1,3-thiazol-5-ylmethyl)piperidin-3-ol
CID 131019864
N'-hydroxy-1-(1,3-thiazol-5-ylmethyl)pyrrolidine-2-carboximidamide
CID 103953989
3-[[2-(bromomethyl)azepan-1-yl]methyl]-1,2,5-thiadiazole
CID 130942581
5-[[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 125011600
5-(1,4-diazabicyclo[3.2.2]nonan-4-ylmethyl)-1,3-thiazole
CID 68865181
5-[[3-(bromomethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 112644427
(2R)-1-benzyl-2-(bromomethyl)piperidine;hydrochloride
CID 67264853
2-(bromomethyl)-1-[(2,5-dimethylpyrazol-3-yl)methyl]azepane
CID 116638368
2-(bromomethyl)-1-[(4-bromophenyl)methyl]azepane
CID 116638469

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(bromomethyl)piperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 5-[[2-(bromomethyl)piperidin-1-yl]methyl]-1,3-thiazole (CID 112644416) is 5-[[2-(bromomethyl)piperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 5-[[2-(bromomethyl)piperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 5-[[2-(bromomethyl)piperidin-1-yl]methyl]-1,3-thiazole is BrCC1CCCCN1Cc1cncs1.
What is the InChIKey of 5-[[2-(bromomethyl)piperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is PDUBUAIILINPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2S/c11-5-9-3-1-2-4-13(9)7-10-6-12-8-14-10/h6,8-9H,1-5,7H2.
What are the key properties of 5-[[2-(bromomethyl)piperidin-1-yl]methyl]-1,3-thiazole?
5-[[2-(bromomethyl)piperidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 275.21 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(bromomethyl)piperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 112644416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).