2-bromo-N-ethyl-4-methyl-1,3-thiazole-5-carboxamide

C7H9BrN2OS — CID 142638831

IUPAC2-bromo-N-ethyl-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCNC(=O)c1sc(Br)nc1C
InChIInChI=1S/C7H9BrN2OS/c1-3-9-6(11)5-4(2)10-7(8)12-5/h3H2,1-2H3,(H,9,11)
InChIKeyLCUAFTVMJLZVPY-UHFFFAOYSA-N
MW249.13 g/mol
LogP1.96
Rot. Bonds2

About 2-bromo-N-ethyl-4-methyl-1,3-thiazole-5-carboxamide

2-bromo-N-ethyl-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 142638831) has the molecular formula C7H9BrN2OS and a molecular weight of 249.13 g/mol. Its IUPAC name is 2-bromo-N-ethyl-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-bromo-N-ethyl-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID142638831
Molecular FormulaC7H9BrN2OS
Molecular Weight249.13 g/mol
Exact Mass247.96
IUPAC Name2-bromo-N-ethyl-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCNC(=O)c1sc(Br)nc1C
InChIInChI=1S/C7H9BrN2OS/c1-3-9-6(11)5-4(2)10-7(8)12-5/h3H2,1-2H3,(H,9,11)
InChIKeyLCUAFTVMJLZVPY-UHFFFAOYSA-N
XLogP1.96
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.13
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-ethyl-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-bromo-N-ethyl-4-methyl-1,3-thiazole-5-carboxamide (CID 142638831) is 2-bromo-N-ethyl-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-bromo-N-ethyl-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-bromo-N-ethyl-4-methyl-1,3-thiazole-5-carboxamide is CCNC(=O)c1sc(Br)nc1C.
What is the InChIKey of 2-bromo-N-ethyl-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is LCUAFTVMJLZVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2OS/c1-3-9-6(11)5-4(2)10-7(8)12-5/h3H2,1-2H3,(H,9,11).
What are the key properties of 2-bromo-N-ethyl-4-methyl-1,3-thiazole-5-carboxamide?
2-bromo-N-ethyl-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 249.13 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-ethyl-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 142638831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).