2,4-dibromo-N-ethyl-1,3-thiazole-5-carboxamide

C6H6Br2N2OS — CID 70930234

IUPAC2,4-dibromo-N-ethyl-1,3-thiazole-5-carboxamide
SMILESCCNC(=O)c1sc(Br)nc1Br
InChIInChI=1S/C6H6Br2N2OS/c1-2-9-5(11)3-4(7)10-6(8)12-3/h2H2,1H3,(H,9,11)
InChIKeyYGVQGWQYXNKDNZ-UHFFFAOYSA-N
MW314.00 g/mol
LogP2.42
Rot. Bonds2

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

2,4-dibromo-N-ethyl-1,3-thiazole-5-carboxamide (PubChem CID 70930234) has the molecular formula C6H6Br2N2OS and a molecular weight of 314.00 g/mol. Its IUPAC name is 2,4-dibromo-N-ethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dibromo-N-ethyl-1,3-thiazole-5-carboxamide
PubChem CID70930234
Molecular FormulaC6H6Br2N2OS
Molecular Weight314.00 g/mol
Exact Mass311.86
IUPAC Name2,4-dibromo-N-ethyl-1,3-thiazole-5-carboxamide
SMILESCCNC(=O)c1sc(Br)nc1Br
InChIInChI=1S/C6H6Br2N2OS/c1-2-9-5(11)3-4(7)10-6(8)12-3/h2H2,1H3,(H,9,11)
InChIKeyYGVQGWQYXNKDNZ-UHFFFAOYSA-N
XLogP2.42
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.00
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-ethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2,4-dibromo-N-ethyl-1,3-thiazole-5-carboxamide (CID 70930234) is 2,4-dibromo-N-ethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2,4-dibromo-N-ethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2,4-dibromo-N-ethyl-1,3-thiazole-5-carboxamide is CCNC(=O)c1sc(Br)nc1Br.
What is the InChIKey of 2,4-dibromo-N-ethyl-1,3-thiazole-5-carboxamide?
The InChIKey is YGVQGWQYXNKDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Br2N2OS/c1-2-9-5(11)3-4(7)10-6(8)12-3/h2H2,1H3,(H,9,11).
What are the key properties of 2,4-dibromo-N-ethyl-1,3-thiazole-5-carboxamide?
2,4-dibromo-N-ethyl-1,3-thiazole-5-carboxamide has a molecular weight of 314.00 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-ethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 70930234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).