5-(bromomethyl)-2-propyl-1,3-thiazole

C7H10BrNS — CID 82422468

IUPAC5-(bromomethyl)-2-propyl-1,3-thiazole
SMILESCCCc1ncc(CBr)s1
InChIInChI=1S/C7H10BrNS/c1-2-3-7-9-5-6(4-8)10-7/h5H,2-4H2,1H3
InChIKeyHGEHIDBFYIWZPP-UHFFFAOYSA-N
MW220.13 g/mol
LogP2.99
Rot. Bonds3

About 5-(bromomethyl)-2-propyl-1,3-thiazole

5-(bromomethyl)-2-propyl-1,3-thiazole (PubChem CID 82422468) has the molecular formula C7H10BrNS and a molecular weight of 220.13 g/mol. Its IUPAC name is 5-(bromomethyl)-2-propyl-1,3-thiazole.

Molecular Properties

Compound Name5-(bromomethyl)-2-propyl-1,3-thiazole
PubChem CID82422468
Molecular FormulaC7H10BrNS
Molecular Weight220.13 g/mol
Exact Mass218.97
IUPAC Name5-(bromomethyl)-2-propyl-1,3-thiazole
SMILESCCCc1ncc(CBr)s1
InChIInChI=1S/C7H10BrNS/c1-2-3-7-9-5-6(4-8)10-7/h5H,2-4H2,1H3
InChIKeyHGEHIDBFYIWZPP-UHFFFAOYSA-N
XLogP2.99
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.13
LogP ≤ 52.99
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

2,5-dipropyl-1,3-thiazole
CID 588151
N-methyl-1-(2-propyl-1,3-thiazol-5-yl)methanamine
CID 61281146
N-methyl-3-(2-propyl-1,3-thiazol-5-yl)propan-1-amine
CID 115091707
(5-propyl-1,3-thiazol-2-yl)methanamine
CID 4036260
2-[5-(bromomethyl)-1,3-thiazol-2-yl]acetonitrile
CID 130153456
5-(bromomethyl)-2-methyl-1,3-thiazole
CID 55250786
N,N-diethyl-2-[5-(ethylaminomethyl)-1,3-thiazol-2-yl]ethanamine
CID 61282306
N-methyl-1-(5-pentyl-1,3-thiazol-2-yl)methanamine
CID 3249621
5-(bromomethyl)-2-[(4-chlorophenyl)methyl]-1,3-thiazole
CID 82422430
2-(2-ethyl-1,3-thiazol-5-yl)ethanamine
CID 83682105
2-chloro-5-propyl-1,3-thiazole
CID 56625607
5-(bromomethyl)-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazole
CID 82424746

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-2-propyl-1,3-thiazole?
The IUPAC name of 5-(bromomethyl)-2-propyl-1,3-thiazole (CID 82422468) is 5-(bromomethyl)-2-propyl-1,3-thiazole.
What is the SMILES notation for 5-(bromomethyl)-2-propyl-1,3-thiazole?
The canonical SMILES for 5-(bromomethyl)-2-propyl-1,3-thiazole is CCCc1ncc(CBr)s1.
What is the InChIKey of 5-(bromomethyl)-2-propyl-1,3-thiazole?
The InChIKey is HGEHIDBFYIWZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrNS/c1-2-3-7-9-5-6(4-8)10-7/h5H,2-4H2,1H3.
What are the key properties of 5-(bromomethyl)-2-propyl-1,3-thiazole?
5-(bromomethyl)-2-propyl-1,3-thiazole has a molecular weight of 220.13 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-2-propyl-1,3-thiazole is sourced from PubChem (CID 82422468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).