5-(bromomethyl)-2-(2-methoxyethyl)-4-propan-2-yl-1,3-thiazole

C10H16BrNOS — CID 82433749

IUPAC5-(bromomethyl)-2-(2-methoxyethyl)-4-propan-2-yl-1,3-thiazole
SMILESCOCCc1nc(C(C)C)c(CBr)s1
InChIInChI=1S/C10H16BrNOS/c1-7(2)10-8(6-11)14-9(12-10)4-5-13-3/h7H,4-6H2,1-3H3
InChIKeyUTZLZSPPBDCHJH-UHFFFAOYSA-N
MW278.22 g/mol
LogP3.35
Rot. Bonds5

About 5-(bromomethyl)-2-(2-methoxyethyl)-4-propan-2-yl-1,3-thiazole

5-(bromomethyl)-2-(2-methoxyethyl)-4-propan-2-yl-1,3-thiazole (PubChem CID 82433749) has the molecular formula C10H16BrNOS and a molecular weight of 278.22 g/mol. Its IUPAC name is 5-(bromomethyl)-2-(2-methoxyethyl)-4-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name5-(bromomethyl)-2-(2-methoxyethyl)-4-propan-2-yl-1,3-thiazole
PubChem CID82433749
Molecular FormulaC10H16BrNOS
Molecular Weight278.22 g/mol
Exact Mass277.01
IUPAC Name5-(bromomethyl)-2-(2-methoxyethyl)-4-propan-2-yl-1,3-thiazole
SMILESCOCCc1nc(C(C)C)c(CBr)s1
InChIInChI=1S/C10H16BrNOS/c1-7(2)10-8(6-11)14-9(12-10)4-5-13-3/h7H,4-6H2,1-3H3
InChIKeyUTZLZSPPBDCHJH-UHFFFAOYSA-N
XLogP3.35
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.22
LogP ≤ 53.35
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-(bromomethyl)-2-(methylsulfanylmethyl)-4-propan-2-yl-1,3-thiazole
CID 82434358
2-[5-[(2-methoxyethylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-yl]-N,N-dimethylethanamine
CID 82435372
N-[[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62402343
5-(bromomethyl)-2-tert-butyl-4-propan-2-yl-1,3-thiazole
CID 82434635
[2-[2-(4-methoxyphenoxy)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 82434850
N-[[2-(2-ethoxyethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 106815449
N-[[4-ethyl-2-(2-methoxyethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82428338
1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 103150624
(1S)-1-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]ethanol
CID 94001080
[4-ethyl-2-(2-methoxyethyl)-1,3-thiazol-5-yl]methanol
CID 82428335
N-[(2-cyclopropyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
CID 82434552
N-[[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopentanamine
CID 82425664

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-2-(2-methoxyethyl)-4-propan-2-yl-1,3-thiazole?
The IUPAC name of 5-(bromomethyl)-2-(2-methoxyethyl)-4-propan-2-yl-1,3-thiazole (CID 82433749) is 5-(bromomethyl)-2-(2-methoxyethyl)-4-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 5-(bromomethyl)-2-(2-methoxyethyl)-4-propan-2-yl-1,3-thiazole?
The canonical SMILES for 5-(bromomethyl)-2-(2-methoxyethyl)-4-propan-2-yl-1,3-thiazole is COCCc1nc(C(C)C)c(CBr)s1.
What is the InChIKey of 5-(bromomethyl)-2-(2-methoxyethyl)-4-propan-2-yl-1,3-thiazole?
The InChIKey is UTZLZSPPBDCHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNOS/c1-7(2)10-8(6-11)14-9(12-10)4-5-13-3/h7H,4-6H2,1-3H3.
What are the key properties of 5-(bromomethyl)-2-(2-methoxyethyl)-4-propan-2-yl-1,3-thiazole?
5-(bromomethyl)-2-(2-methoxyethyl)-4-propan-2-yl-1,3-thiazole has a molecular weight of 278.22 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-2-(2-methoxyethyl)-4-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 82433749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).