4-bromo-2-chloro-1,3-thiazole

C3HBrClNS — CID 11701210

IUPAC4-bromo-2-chloro-1,3-thiazole
SMILESClc1nc(Br)cs1
InChIInChI=1S/C3HBrClNS/c4-2-1-7-3(5)6-2/h1H
InChIKeyMVMBHCWTANPPTC-UHFFFAOYSA-N
MW198.47 g/mol
LogP2.56
Rot. Bonds

About 4-bromo-2-chloro-1,3-thiazole

4-bromo-2-chloro-1,3-thiazole (PubChem CID 11701210) has the molecular formula C3HBrClNS and a molecular weight of 198.47 g/mol. Its IUPAC name is 4-bromo-2-chloro-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-2-chloro-1,3-thiazole
PubChem CID11701210
Molecular FormulaC3HBrClNS
Molecular Weight198.47 g/mol
Exact Mass196.87
IUPAC Name4-bromo-2-chloro-1,3-thiazole
SMILESClc1nc(Br)cs1
InChIInChI=1S/C3HBrClNS/c4-2-1-7-3(5)6-2/h1H
InChIKeyMVMBHCWTANPPTC-UHFFFAOYSA-N
XLogP2.56
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.47
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-1,3-thiazole?
The IUPAC name of 4-bromo-2-chloro-1,3-thiazole (CID 11701210) is 4-bromo-2-chloro-1,3-thiazole.
What is the SMILES notation for 4-bromo-2-chloro-1,3-thiazole?
The canonical SMILES for 4-bromo-2-chloro-1,3-thiazole is Clc1nc(Br)cs1.
What is the InChIKey of 4-bromo-2-chloro-1,3-thiazole?
The InChIKey is MVMBHCWTANPPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HBrClNS/c4-2-1-7-3(5)6-2/h1H.
What are the key properties of 4-bromo-2-chloro-1,3-thiazole?
4-bromo-2-chloro-1,3-thiazole has a molecular weight of 198.47 g/mol, XLogP of 2.56, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-1,3-thiazole is sourced from PubChem (CID 11701210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).