4-bromo-2-(2-methoxyethoxy)-1,3-thiazole

C6H8BrNO2S — CID 79399097

IUPAC4-bromo-2-(2-methoxyethoxy)-1,3-thiazole
SMILESCOCCOc1nc(Br)cs1
InChIInChI=1S/C6H8BrNO2S/c1-9-2-3-10-6-8-5(7)4-11-6/h4H,2-3H2,1H3
InChIKeyNNSCKQBCOMHIQT-UHFFFAOYSA-N
MW238.11 g/mol
LogP1.93
Rot. Bonds4

About 4-bromo-2-(2-methoxyethoxy)-1,3-thiazole

4-bromo-2-(2-methoxyethoxy)-1,3-thiazole (PubChem CID 79399097) has the molecular formula C6H8BrNO2S and a molecular weight of 238.11 g/mol. Its IUPAC name is 4-bromo-2-(2-methoxyethoxy)-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-2-(2-methoxyethoxy)-1,3-thiazole
PubChem CID79399097
Molecular FormulaC6H8BrNO2S
Molecular Weight238.11 g/mol
Exact Mass236.95
IUPAC Name4-bromo-2-(2-methoxyethoxy)-1,3-thiazole
SMILESCOCCOc1nc(Br)cs1
InChIInChI=1S/C6H8BrNO2S/c1-9-2-3-10-6-8-5(7)4-11-6/h4H,2-3H2,1H3
InChIKeyNNSCKQBCOMHIQT-UHFFFAOYSA-N
XLogP1.93
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.11
LogP ≤ 51.93
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-(2-methylpropoxy)ethoxy]-1,3-thiazole
CID 106447494
4-bromo-2-[(2-chlorophenyl)methoxy]-1,3-thiazole
CID 79400577
4-bromo-N-cyclopropyl-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 79398791
3-[(4-bromo-1,3-thiazol-2-yl)oxy]-4-methoxybenzoic acid
CID 79732438
4-bromo-2-(4-propylphenoxy)-1,3-thiazole
CID 79399977
4-bromo-N-(1-methoxy-3-methylbutan-2-yl)-1,3-thiazol-2-amine
CID 79398911
4-chloro-2-(2-propan-2-yloxyethoxy)-1,3-thiazole
CID 83152492
4-[(4-bromo-1,3-thiazol-2-yl)oxy]-N-methylaniline
CID 79399921
2,3-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]thieno[3,4-b]pyrazine
CID 25136770
4-chloro-2-pentoxy-1,3-thiazole
CID 83152735
4-bromo-2-(2-methylsulfanylphenoxy)-1,3-thiazole
CID 79399117
5-(2-methoxyethoxy)-3H-pyrrole
CID 175268779

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2-methoxyethoxy)-1,3-thiazole?
The IUPAC name of 4-bromo-2-(2-methoxyethoxy)-1,3-thiazole (CID 79399097) is 4-bromo-2-(2-methoxyethoxy)-1,3-thiazole.
What is the SMILES notation for 4-bromo-2-(2-methoxyethoxy)-1,3-thiazole?
The canonical SMILES for 4-bromo-2-(2-methoxyethoxy)-1,3-thiazole is COCCOc1nc(Br)cs1.
What is the InChIKey of 4-bromo-2-(2-methoxyethoxy)-1,3-thiazole?
The InChIKey is NNSCKQBCOMHIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrNO2S/c1-9-2-3-10-6-8-5(7)4-11-6/h4H,2-3H2,1H3.
What are the key properties of 4-bromo-2-(2-methoxyethoxy)-1,3-thiazole?
4-bromo-2-(2-methoxyethoxy)-1,3-thiazole has a molecular weight of 238.11 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2-methoxyethoxy)-1,3-thiazole is sourced from PubChem (CID 79399097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).