4-bromo-1,3-thiazole

C3H2BrNS — CID 2763218

IUPAC4-bromo-1,3-thiazole
SMILESBrc1cscn1
InChIInChI=1S/C3H2BrNS/c4-3-1-6-2-5-3/h1-2H
InChIKeyVDTIGYKLTROQAH-UHFFFAOYSA-N
MW164.03 g/mol
LogP1.91
Rot. Bonds

About 4-bromo-1,3-thiazole

4-bromo-1,3-thiazole (PubChem CID 2763218) has the molecular formula C3H2BrNS and a molecular weight of 164.03 g/mol. Its IUPAC name is 4-bromo-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-1,3-thiazole
PubChem CID2763218
Molecular FormulaC3H2BrNS
Molecular Weight164.03 g/mol
Exact Mass162.91
IUPAC Name4-bromo-1,3-thiazole
SMILESBrc1cscn1
InChIInChI=1S/C3H2BrNS/c4-3-1-6-2-5-3/h1-2H
InChIKeyVDTIGYKLTROQAH-UHFFFAOYSA-N
XLogP1.91
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.03
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1,3-thiazole?
The IUPAC name of 4-bromo-1,3-thiazole (CID 2763218) is 4-bromo-1,3-thiazole.
What is the SMILES notation for 4-bromo-1,3-thiazole?
The canonical SMILES for 4-bromo-1,3-thiazole is Brc1cscn1.
What is the InChIKey of 4-bromo-1,3-thiazole?
The InChIKey is VDTIGYKLTROQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2BrNS/c4-3-1-6-2-5-3/h1-2H.
What are the key properties of 4-bromo-1,3-thiazole?
4-bromo-1,3-thiazole has a molecular weight of 164.03 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1,3-thiazole is sourced from PubChem (CID 2763218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).