2,4-dibromo-5-deuterio-1,3-thiazole

C3HBr2NS — CID 101438952

IUPAC2,4-dibromo-5-deuterio-1,3-thiazole
SMILES[2H]c1sc(Br)nc1Br
InChIInChI=1S/C3HBr2NS/c4-2-1-7-3(5)6-2/h1H/i1D
InChIKeyMKEJZKKVVUZXIS-MICDWDOJSA-N
MW243.93 g/mol
LogP2.67
Rot. Bonds

About 2,4-dibromo-5-deuterio-1,3-thiazole

2,4-dibromo-5-deuterio-1,3-thiazole (PubChem CID 101438952) has the molecular formula C3HBr2NS and a molecular weight of 243.93 g/mol. Its IUPAC name is 2,4-dibromo-5-deuterio-1,3-thiazole.

Molecular Properties

Compound Name2,4-dibromo-5-deuterio-1,3-thiazole
PubChem CID101438952
Molecular FormulaC3HBr2NS
Molecular Weight243.93 g/mol
Exact Mass241.83
IUPAC Name2,4-dibromo-5-deuterio-1,3-thiazole
SMILES[2H]c1sc(Br)nc1Br
InChIInChI=1S/C3HBr2NS/c4-2-1-7-3(5)6-2/h1H/i1D
InChIKeyMKEJZKKVVUZXIS-MICDWDOJSA-N
XLogP2.67
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.93
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-5-deuterio-1,3-thiazole?
The IUPAC name of 2,4-dibromo-5-deuterio-1,3-thiazole (CID 101438952) is 2,4-dibromo-5-deuterio-1,3-thiazole.
What is the SMILES notation for 2,4-dibromo-5-deuterio-1,3-thiazole?
The canonical SMILES for 2,4-dibromo-5-deuterio-1,3-thiazole is [2H]c1sc(Br)nc1Br.
What is the InChIKey of 2,4-dibromo-5-deuterio-1,3-thiazole?
The InChIKey is MKEJZKKVVUZXIS-MICDWDOJSA-N. The full InChI is InChI=1S/C3HBr2NS/c4-2-1-7-3(5)6-2/h1H/i1D.
What are the key properties of 2,4-dibromo-5-deuterio-1,3-thiazole?
2,4-dibromo-5-deuterio-1,3-thiazole has a molecular weight of 243.93 g/mol, XLogP of 2.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-5-deuterio-1,3-thiazole is sourced from PubChem (CID 101438952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).