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

C6H10BrNS — CID 164527461

IUPAC3-bromo-4-methyl-1,2-thiazole;ethane
SMILESCC.Cc1csnc1Br
InChIInChI=1S/C4H4BrNS.C2H6/c1-3-2-7-6-4(3)5;1-2/h2H,1H3;1-2H3
InChIKeyBISAXQMYRVEHBC-UHFFFAOYSA-N
MW208.12 g/mol
LogP3.24
Rot. Bonds

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

3-bromo-4-methyl-1,2-thiazole;ethane (PubChem CID 164527461) has the molecular formula C6H10BrNS and a molecular weight of 208.12 g/mol. Its IUPAC name is 3-bromo-4-methyl-1,2-thiazole;ethane.

Molecular Properties

Compound Name3-bromo-4-methyl-1,2-thiazole;ethane
PubChem CID164527461
Molecular FormulaC6H10BrNS
Molecular Weight208.12 g/mol
Exact Mass206.97
IUPAC Name3-bromo-4-methyl-1,2-thiazole;ethane
SMILESCC.Cc1csnc1Br
InChIInChI=1S/C4H4BrNS.C2H6/c1-3-2-7-6-4(3)5;1-2/h2H,1H3;1-2H3
InChIKeyBISAXQMYRVEHBC-UHFFFAOYSA-N
XLogP3.24
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.12
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-ethenyl-1,2-thiazole
CID 177317052
4-methyl-3-propyl-1,2-thiazole
CID 143329502
4-(4-methyl-1,2-thiazol-3-yl)pyrimidin-5-amine
CID 82402662
4-methyl-1,2-thiazole-3-carbohydrazide
CID 66599027
7-methyl-[1,2]thiazolo[4,3-b]pyridine
CID 143569189
5-methyl-[1,2]thiazolo[3,4-e][2,1]benzothiazole
CID 12645050
2-bromo-3-methylpyridine;ethane
CID 143610978
1-[2-(4-methyl-1,2-thiazol-3-yl)ethyl]cyclopropan-1-amine
CID 105440290
4-bromo-3-methylthieno[2,3-c]pyridine
CID 170773939
ethane;3-methyl-1,2-thiazole
CID 91311245
4,7-dimethyl-2,1,3-benzothiadiazole;ethane
CID 144533548
3-methyl-1,2-thiazole-4-carbonitrile
CID 14707892

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-1,2-thiazole;ethane?
The IUPAC name of 3-bromo-4-methyl-1,2-thiazole;ethane (CID 164527461) is 3-bromo-4-methyl-1,2-thiazole;ethane.
What is the SMILES notation for 3-bromo-4-methyl-1,2-thiazole;ethane?
The canonical SMILES for 3-bromo-4-methyl-1,2-thiazole;ethane is CC.Cc1csnc1Br.
What is the InChIKey of 3-bromo-4-methyl-1,2-thiazole;ethane?
The InChIKey is BISAXQMYRVEHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4BrNS.C2H6/c1-3-2-7-6-4(3)5;1-2/h2H,1H3;1-2H3.
What are the key properties of 3-bromo-4-methyl-1,2-thiazole;ethane?
3-bromo-4-methyl-1,2-thiazole;ethane has a molecular weight of 208.12 g/mol, XLogP of 3.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methyl-1,2-thiazole;ethane is sourced from PubChem (CID 164527461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).