2-(bromomethyl)-4-cyclopentyl-1,3-thiazole

C9H12BrNS — CID 116970375

IUPAC2-(bromomethyl)-4-cyclopentyl-1,3-thiazole
SMILESBrCc1nc(C2CCCC2)cs1
InChIInChI=1S/C9H12BrNS/c10-5-9-11-8(6-12-9)7-3-1-2-4-7/h6-7H,1-5H2
InChIKeyPLECECMSIFOAQK-UHFFFAOYSA-N
MW246.17 g/mol
LogP3.70
Rot. Bonds2

About 2-(bromomethyl)-4-cyclopentyl-1,3-thiazole

2-(bromomethyl)-4-cyclopentyl-1,3-thiazole (PubChem CID 116970375) has the molecular formula C9H12BrNS and a molecular weight of 246.17 g/mol. Its IUPAC name is 2-(bromomethyl)-4-cyclopentyl-1,3-thiazole.

Molecular Properties

Compound Name2-(bromomethyl)-4-cyclopentyl-1,3-thiazole
PubChem CID116970375
Molecular FormulaC9H12BrNS
Molecular Weight246.17 g/mol
Exact Mass244.99
IUPAC Name2-(bromomethyl)-4-cyclopentyl-1,3-thiazole
SMILESBrCc1nc(C2CCCC2)cs1
InChIInChI=1S/C9H12BrNS/c10-5-9-11-8(6-12-9)7-3-1-2-4-7/h6-7H,1-5H2
InChIKeyPLECECMSIFOAQK-UHFFFAOYSA-N
XLogP3.70
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.17
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-cyclohexyl-2-propyl-1,3-thiazole
CID 130157916
2-(2-chloroethyl)-4-cyclobutyl-1,3-thiazole
CID 116965575
4-(4-cyclohexyl-1,3-thiazol-2-yl)butan-1-ol
CID 116968668
2-(4-cyclobutyl-1,3-thiazol-2-yl)acetonitrile
CID 116966310
2-(4-cyclohexyl-1,3-thiazol-2-yl)ethanethioamide
CID 116868749
1-(4-cyclopentyl-1,3-thiazol-2-yl)-N,2-dimethylpropan-2-amine
CID 116968800
2-(3-chloropropyl)-4-cyclobutyl-1,3-thiazole
CID 116968630
[1-[(4-cyclobutyl-1,3-thiazol-2-yl)methyl]cyclopropyl]methanamine
CID 116969391
2,4-di(cyclobutyl)-1,3-thiazole
CID 130688661
2-amino-2-(4-cyclopentyl-1,3-thiazol-2-yl)ethanol
CID 116966791
3-(4-cyclohexyl-1,3-thiazol-2-yl)-2-(methylamino)propanoic acid
CID 116969836
4-cyclobutyl-2-(piperidin-3-ylmethyl)-1,3-thiazole
CID 115041796

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-4-cyclopentyl-1,3-thiazole?
The IUPAC name of 2-(bromomethyl)-4-cyclopentyl-1,3-thiazole (CID 116970375) is 2-(bromomethyl)-4-cyclopentyl-1,3-thiazole.
What is the SMILES notation for 2-(bromomethyl)-4-cyclopentyl-1,3-thiazole?
The canonical SMILES for 2-(bromomethyl)-4-cyclopentyl-1,3-thiazole is BrCc1nc(C2CCCC2)cs1.
What is the InChIKey of 2-(bromomethyl)-4-cyclopentyl-1,3-thiazole?
The InChIKey is PLECECMSIFOAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNS/c10-5-9-11-8(6-12-9)7-3-1-2-4-7/h6-7H,1-5H2.
What are the key properties of 2-(bromomethyl)-4-cyclopentyl-1,3-thiazole?
2-(bromomethyl)-4-cyclopentyl-1,3-thiazole has a molecular weight of 246.17 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4-cyclopentyl-1,3-thiazole is sourced from PubChem (CID 116970375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).