4-bromo-2-[2-(2-methylpropoxy)ethoxy]-1,3-thiazole

C9H14BrNO2S — CID 106447494

IUPAC4-bromo-2-[2-(2-methylpropoxy)ethoxy]-1,3-thiazole
SMILESCC(C)COCCOc1nc(Br)cs1
InChIInChI=1S/C9H14BrNO2S/c1-7(2)5-12-3-4-13-9-11-8(10)6-14-9/h6-7H,3-5H2,1-2H3
InChIKeyPRHCTEGXEAAHSU-UHFFFAOYSA-N
MW280.19 g/mol
LogP2.96
Rot. Bonds6

About 4-bromo-2-[2-(2-methylpropoxy)ethoxy]-1,3-thiazole

4-bromo-2-[2-(2-methylpropoxy)ethoxy]-1,3-thiazole (PubChem CID 106447494) has the molecular formula C9H14BrNO2S and a molecular weight of 280.19 g/mol. Its IUPAC name is 4-bromo-2-[2-(2-methylpropoxy)ethoxy]-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-2-[2-(2-methylpropoxy)ethoxy]-1,3-thiazole
PubChem CID106447494
Molecular FormulaC9H14BrNO2S
Molecular Weight280.19 g/mol
Exact Mass278.99
IUPAC Name4-bromo-2-[2-(2-methylpropoxy)ethoxy]-1,3-thiazole
SMILESCC(C)COCCOc1nc(Br)cs1
InChIInChI=1S/C9H14BrNO2S/c1-7(2)5-12-3-4-13-9-11-8(10)6-14-9/h6-7H,3-5H2,1-2H3
InChIKeyPRHCTEGXEAAHSU-UHFFFAOYSA-N
XLogP2.96
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.19
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-(2-methoxyethoxy)-1,3-thiazole
CID 79399097
4-bromo-6-[2-(2-methylpropoxy)ethoxy]pyrimidine
CID 106447502
5-bromo-2-[2-(2-methylpropoxy)ethoxy]pyrimidine
CID 69073848
4-chloro-2-(2-propan-2-yloxyethoxy)-1,3-thiazole
CID 83152492
2-methyl-N-[[4-[2-(2-methylpropoxy)ethoxymethyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 106449918
3-bromo-2-[2-(2-methylpropoxy)ethoxymethyl]thiophene
CID 106448565
5-[4-[2-[(4-bromo-1,3-thiazol-2-yl)oxy]ethyl]-3-propan-2-ylpiperidin-4-yl]oxadiazole
CID 131988751
3,4,6-trichloro-5-[2-(2-methylpropoxy)ethoxy]pyridazine
CID 139609491
1,3-dimethyl-5-[2-(2-methylpropoxy)ethoxy]benzene
CID 106458424
4-bromo-2-[(2-chlorophenyl)methoxy]-1,3-thiazole
CID 79400577
3,3-dimethyl-1-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]butane
CID 167646530
[6-[2-(2-methylpropoxy)ethoxy]-2-pyridinyl]methanol
CID 106448445

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[2-(2-methylpropoxy)ethoxy]-1,3-thiazole?
The IUPAC name of 4-bromo-2-[2-(2-methylpropoxy)ethoxy]-1,3-thiazole (CID 106447494) is 4-bromo-2-[2-(2-methylpropoxy)ethoxy]-1,3-thiazole.
What is the SMILES notation for 4-bromo-2-[2-(2-methylpropoxy)ethoxy]-1,3-thiazole?
The canonical SMILES for 4-bromo-2-[2-(2-methylpropoxy)ethoxy]-1,3-thiazole is CC(C)COCCOc1nc(Br)cs1.
What is the InChIKey of 4-bromo-2-[2-(2-methylpropoxy)ethoxy]-1,3-thiazole?
The InChIKey is PRHCTEGXEAAHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrNO2S/c1-7(2)5-12-3-4-13-9-11-8(10)6-14-9/h6-7H,3-5H2,1-2H3.
What are the key properties of 4-bromo-2-[2-(2-methylpropoxy)ethoxy]-1,3-thiazole?
4-bromo-2-[2-(2-methylpropoxy)ethoxy]-1,3-thiazole has a molecular weight of 280.19 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[2-(2-methylpropoxy)ethoxy]-1,3-thiazole is sourced from PubChem (CID 106447494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).