4-bromo-2-pyrrolidin-3-yloxy-1,3-thiazole

C7H9BrN2OS — CID 79400429

IUPAC4-bromo-2-pyrrolidin-3-yloxy-1,3-thiazole
SMILESBrc1csc(OC2CCNC2)n1
InChIInChI=1S/C7H9BrN2OS/c8-6-4-12-7(10-6)11-5-1-2-9-3-5/h4-5,9H,1-3H2
InChIKeySHVONZNXVGINDO-UHFFFAOYSA-N
MW249.13 g/mol
LogP1.65
Rot. Bonds2

About 4-bromo-2-pyrrolidin-3-yloxy-1,3-thiazole

4-bromo-2-pyrrolidin-3-yloxy-1,3-thiazole (PubChem CID 79400429) has the molecular formula C7H9BrN2OS and a molecular weight of 249.13 g/mol. Its IUPAC name is 4-bromo-2-pyrrolidin-3-yloxy-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-2-pyrrolidin-3-yloxy-1,3-thiazole
PubChem CID79400429
Molecular FormulaC7H9BrN2OS
Molecular Weight249.13 g/mol
Exact Mass247.96
IUPAC Name4-bromo-2-pyrrolidin-3-yloxy-1,3-thiazole
SMILESBrc1csc(OC2CCNC2)n1
InChIInChI=1S/C7H9BrN2OS/c8-6-4-12-7(10-6)11-5-1-2-9-3-5/h4-5,9H,1-3H2
InChIKeySHVONZNXVGINDO-UHFFFAOYSA-N
XLogP1.65
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.13
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-pyrrolidin-3-yloxy-1,3-thiazole?
The IUPAC name of 4-bromo-2-pyrrolidin-3-yloxy-1,3-thiazole (CID 79400429) is 4-bromo-2-pyrrolidin-3-yloxy-1,3-thiazole.
What is the SMILES notation for 4-bromo-2-pyrrolidin-3-yloxy-1,3-thiazole?
The canonical SMILES for 4-bromo-2-pyrrolidin-3-yloxy-1,3-thiazole is Brc1csc(OC2CCNC2)n1.
What is the InChIKey of 4-bromo-2-pyrrolidin-3-yloxy-1,3-thiazole?
The InChIKey is SHVONZNXVGINDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2OS/c8-6-4-12-7(10-6)11-5-1-2-9-3-5/h4-5,9H,1-3H2.
What are the key properties of 4-bromo-2-pyrrolidin-3-yloxy-1,3-thiazole?
4-bromo-2-pyrrolidin-3-yloxy-1,3-thiazole has a molecular weight of 249.13 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-pyrrolidin-3-yloxy-1,3-thiazole is sourced from PubChem (CID 79400429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).