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

C4H4BrNS — CID 2763186

IUPAC4-bromo-2-methyl-1,3-thiazole
SMILESCc1nc(Br)cs1
InChIInChI=1S/C4H4BrNS/c1-3-6-4(5)2-7-3/h2H,1H3
InChIKeyLYRXILTUZBBMNS-UHFFFAOYSA-N
MW178.05 g/mol
LogP2.21
Rot. Bonds

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

4-bromo-2-methyl-1,3-thiazole (PubChem CID 2763186) has the molecular formula C4H4BrNS and a molecular weight of 178.05 g/mol. Its IUPAC name is 4-bromo-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-2-methyl-1,3-thiazole
PubChem CID2763186
Molecular FormulaC4H4BrNS
Molecular Weight178.05 g/mol
Exact Mass176.92
IUPAC Name4-bromo-2-methyl-1,3-thiazole
SMILESCc1nc(Br)cs1
InChIInChI=1S/C4H4BrNS/c1-3-6-4(5)2-7-3/h2H,1H3
InChIKeyLYRXILTUZBBMNS-UHFFFAOYSA-N
XLogP2.21
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.05
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Bromo-2-isopropyl-1,3-thiazole
CID 2763182
2,4-Dibromo-1,3-thiazole
CID 2763297
4-Bromo-2-methoxy-1,3-thiazole
CID 2763266
4-Bromo-2-ethoxy-1,3-thiazole
CID 2763267
4-Bromo-2-(trimethylsilyl)-1,3-thiazole
CID 4340399
4-Bromo-2-(tributylstannyl)-1,3-thiazole
CID 11048687
4-Bromo-2-(methylthio)-1,3-thiazole
CID 16427094
4-Bromo-2-chlorothiazole
CID 11701210
4-Bromo-2-iodothiazole
CID 13662078
4-Bromo-2-(trifluoromethyl)-1,3-thiazole
CID 15122066
4-Bromo-2-cyclopropyl-1,3-thiazole
CID 45141884
4-Bromo-1,3-thiazole-2-carbonitrile
CID 45787503

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-1,3-thiazole?
The IUPAC name of 4-bromo-2-methyl-1,3-thiazole (CID 2763186) is 4-bromo-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-bromo-2-methyl-1,3-thiazole?
The canonical SMILES for 4-bromo-2-methyl-1,3-thiazole is Cc1nc(Br)cs1.
What is the InChIKey of 4-bromo-2-methyl-1,3-thiazole?
The InChIKey is LYRXILTUZBBMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4BrNS/c1-3-6-4(5)2-7-3/h2H,1H3.
What are the key properties of 4-bromo-2-methyl-1,3-thiazole?
4-bromo-2-methyl-1,3-thiazole has a molecular weight of 178.05 g/mol, XLogP of 2.21, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methyl-1,3-thiazole is sourced from PubChem (CID 2763186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).