5-(bromomethyl)-4-methyl-2-pyrrolidin-1-yl-1,3-thiazole

C9H13BrN2S — CID 82427860

IUPAC5-(bromomethyl)-4-methyl-2-pyrrolidin-1-yl-1,3-thiazole
SMILESCc1nc(N2CCCC2)sc1CBr
InChIInChI=1S/C9H13BrN2S/c1-7-8(6-10)13-9(11-7)12-4-2-3-5-12/h2-6H2,1H3
InChIKeyYOZRKIDMUIWCKZ-UHFFFAOYSA-N
MW261.19 g/mol
LogP2.95
Rot. Bonds2

About 5-(bromomethyl)-4-methyl-2-pyrrolidin-1-yl-1,3-thiazole

5-(bromomethyl)-4-methyl-2-pyrrolidin-1-yl-1,3-thiazole (PubChem CID 82427860) has the molecular formula C9H13BrN2S and a molecular weight of 261.19 g/mol. Its IUPAC name is 5-(bromomethyl)-4-methyl-2-pyrrolidin-1-yl-1,3-thiazole.

Molecular Properties

Compound Name5-(bromomethyl)-4-methyl-2-pyrrolidin-1-yl-1,3-thiazole
PubChem CID82427860
Molecular FormulaC9H13BrN2S
Molecular Weight261.19 g/mol
Exact Mass260.00
IUPAC Name5-(bromomethyl)-4-methyl-2-pyrrolidin-1-yl-1,3-thiazole
SMILESCc1nc(N2CCCC2)sc1CBr
InChIInChI=1S/C9H13BrN2S/c1-7-8(6-10)13-9(11-7)12-4-2-3-5-12/h2-6H2,1H3
InChIKeyYOZRKIDMUIWCKZ-UHFFFAOYSA-N
XLogP2.95
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.19
LogP ≤ 52.95
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

(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanamine
CID 46785718
N-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]ethanamine
CID 46785724
2-(azepan-1-yl)-5-bromo-4-methyl-1,3-thiazole
CID 83558280
N-[[2-(azocan-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 55117264
2-(4-methyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)propan-2-amine
CID 82427864
[4-methyl-2-(1,4-thiazepan-4-yl)-1,3-thiazol-5-yl]methanol
CID 62779519
N-methyl-1-[4-methyl-2-(1,4-thiazepan-4-yl)-1,3-thiazol-5-yl]methanamine
CID 62769315
[4-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1,3-thiazol-5-yl]methanol
CID 63009952
2-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine
CID 82129972
[2-(4,4-dimethylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 62930158
N-methyl-1-(4-methyl-2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methanamine
CID 62766044
N-[[4-methyl-2-(1,4-thiazepan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62767244

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-4-methyl-2-pyrrolidin-1-yl-1,3-thiazole?
The IUPAC name of 5-(bromomethyl)-4-methyl-2-pyrrolidin-1-yl-1,3-thiazole (CID 82427860) is 5-(bromomethyl)-4-methyl-2-pyrrolidin-1-yl-1,3-thiazole.
What is the SMILES notation for 5-(bromomethyl)-4-methyl-2-pyrrolidin-1-yl-1,3-thiazole?
The canonical SMILES for 5-(bromomethyl)-4-methyl-2-pyrrolidin-1-yl-1,3-thiazole is Cc1nc(N2CCCC2)sc1CBr.
What is the InChIKey of 5-(bromomethyl)-4-methyl-2-pyrrolidin-1-yl-1,3-thiazole?
The InChIKey is YOZRKIDMUIWCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2S/c1-7-8(6-10)13-9(11-7)12-4-2-3-5-12/h2-6H2,1H3.
What are the key properties of 5-(bromomethyl)-4-methyl-2-pyrrolidin-1-yl-1,3-thiazole?
5-(bromomethyl)-4-methyl-2-pyrrolidin-1-yl-1,3-thiazole has a molecular weight of 261.19 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-4-methyl-2-pyrrolidin-1-yl-1,3-thiazole is sourced from PubChem (CID 82427860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).