4-bromo-N-methyl-N-(2-methylsulfonylethyl)-1,3-thiazol-2-amine

C7H11BrN2O2S2 — CID 79864884

IUPAC4-bromo-N-methyl-N-(2-methylsulfonylethyl)-1,3-thiazol-2-amine
SMILESCN(CCS(C)(=O)=O)c1nc(Br)cs1
InChIInChI=1S/C7H11BrN2O2S2/c1-10(3-4-14(2,11)12)7-9-6(8)5-13-7/h5H,3-4H2,1-2H3
InChIKeyCJXIRDDFVXKBRD-UHFFFAOYSA-N
MW299.22 g/mol
LogP1.39
Rot. Bonds4

About 4-bromo-N-methyl-N-(2-methylsulfonylethyl)-1,3-thiazol-2-amine

4-bromo-N-methyl-N-(2-methylsulfonylethyl)-1,3-thiazol-2-amine (PubChem CID 79864884) has the molecular formula C7H11BrN2O2S2 and a molecular weight of 299.22 g/mol. Its IUPAC name is 4-bromo-N-methyl-N-(2-methylsulfonylethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-bromo-N-methyl-N-(2-methylsulfonylethyl)-1,3-thiazol-2-amine
PubChem CID79864884
Molecular FormulaC7H11BrN2O2S2
Molecular Weight299.22 g/mol
Exact Mass297.94
IUPAC Name4-bromo-N-methyl-N-(2-methylsulfonylethyl)-1,3-thiazol-2-amine
SMILESCN(CCS(C)(=O)=O)c1nc(Br)cs1
InChIInChI=1S/C7H11BrN2O2S2/c1-10(3-4-14(2,11)12)7-9-6(8)5-13-7/h5H,3-4H2,1-2H3
InChIKeyCJXIRDDFVXKBRD-UHFFFAOYSA-N
XLogP1.39
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.22
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-methyl-N-(2-methylsulfonylethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-bromo-N-methyl-N-(2-methylsulfonylethyl)-1,3-thiazol-2-amine (CID 79864884) is 4-bromo-N-methyl-N-(2-methylsulfonylethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-bromo-N-methyl-N-(2-methylsulfonylethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-bromo-N-methyl-N-(2-methylsulfonylethyl)-1,3-thiazol-2-amine is CN(CCS(C)(=O)=O)c1nc(Br)cs1.
What is the InChIKey of 4-bromo-N-methyl-N-(2-methylsulfonylethyl)-1,3-thiazol-2-amine?
The InChIKey is CJXIRDDFVXKBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrN2O2S2/c1-10(3-4-14(2,11)12)7-9-6(8)5-13-7/h5H,3-4H2,1-2H3.
What are the key properties of 4-bromo-N-methyl-N-(2-methylsulfonylethyl)-1,3-thiazol-2-amine?
4-bromo-N-methyl-N-(2-methylsulfonylethyl)-1,3-thiazol-2-amine has a molecular weight of 299.22 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-methyl-N-(2-methylsulfonylethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 79864884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).