4-bromo-2-(3-methoxyoxolan-3-yl)-1,3-thiazole

C8H10BrNO2S — CID 151187913

IUPAC4-bromo-2-(3-methoxyoxolan-3-yl)-1,3-thiazole
SMILESCOC1(c2nc(Br)cs2)CCOC1
InChIInChI=1S/C8H10BrNO2S/c1-11-8(2-3-12-5-8)7-10-6(9)4-13-7/h4H,2-3,5H2,1H3
InChIKeyNFRUGWSQWSLXLC-UHFFFAOYSA-N
MW264.14 g/mol
LogP2.17
Rot. Bonds2

About 4-bromo-2-(3-methoxyoxolan-3-yl)-1,3-thiazole

4-bromo-2-(3-methoxyoxolan-3-yl)-1,3-thiazole (PubChem CID 151187913) has the molecular formula C8H10BrNO2S and a molecular weight of 264.14 g/mol. Its IUPAC name is 4-bromo-2-(3-methoxyoxolan-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-2-(3-methoxyoxolan-3-yl)-1,3-thiazole
PubChem CID151187913
Molecular FormulaC8H10BrNO2S
Molecular Weight264.14 g/mol
Exact Mass262.96
IUPAC Name4-bromo-2-(3-methoxyoxolan-3-yl)-1,3-thiazole
SMILESCOC1(c2nc(Br)cs2)CCOC1
InChIInChI=1S/C8H10BrNO2S/c1-11-8(2-3-12-5-8)7-10-6(9)4-13-7/h4H,2-3,5H2,1H3
InChIKeyNFRUGWSQWSLXLC-UHFFFAOYSA-N
XLogP2.17
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.14
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-bromophenyl)-2-(4-methoxyoxan-4-yl)-1,3-thiazole
CID 116782540
1-[2-(4-methoxyoxan-4-yl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 116774707
1-[2-(4-methoxyoxan-4-yl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 116774588
4-(3-chloropropyl)-2-(4-methoxyoxan-4-yl)-1,3-thiazole
CID 116744349
3-[2-(4-methoxyoxan-4-yl)-1,3-thiazol-4-yl]-4-methyl-1,2,5-oxadiazole
CID 122154778
2-(4-methoxyoxan-4-yl)-4-(2-methyl-3-pyridinyl)-1,3-thiazole
CID 122154767
2-(4-ethoxyoxan-4-yl)-1,3-thiazol-4-amine
CID 116782575
2-bromo-6-[(3S)-3-methoxyoxolan-3-yl]-4-(oxetan-3-ylmethoxy)pyridine
CID 163377534
4-(2,4-dimethoxyphenyl)-2-(4-methoxyoxan-4-yl)-1,3-thiazole
CID 125138855
1-(4-bromo-1,3-thiazol-2-yl)cyclobutan-1-ol
CID 114684364
2-(4-ethoxyoxan-4-yl)-4-propyl-1,3-thiazole
CID 116782769
1-(4-bromo-1,3-thiazol-2-yl)-3-methoxycyclohexan-1-ol
CID 106874125

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(3-methoxyoxolan-3-yl)-1,3-thiazole?
The IUPAC name of 4-bromo-2-(3-methoxyoxolan-3-yl)-1,3-thiazole (CID 151187913) is 4-bromo-2-(3-methoxyoxolan-3-yl)-1,3-thiazole.
What is the SMILES notation for 4-bromo-2-(3-methoxyoxolan-3-yl)-1,3-thiazole?
The canonical SMILES for 4-bromo-2-(3-methoxyoxolan-3-yl)-1,3-thiazole is COC1(c2nc(Br)cs2)CCOC1.
What is the InChIKey of 4-bromo-2-(3-methoxyoxolan-3-yl)-1,3-thiazole?
The InChIKey is NFRUGWSQWSLXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO2S/c1-11-8(2-3-12-5-8)7-10-6(9)4-13-7/h4H,2-3,5H2,1H3.
What are the key properties of 4-bromo-2-(3-methoxyoxolan-3-yl)-1,3-thiazole?
4-bromo-2-(3-methoxyoxolan-3-yl)-1,3-thiazole has a molecular weight of 264.14 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(3-methoxyoxolan-3-yl)-1,3-thiazole is sourced from PubChem (CID 151187913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).