4-bromo-N-(2-fluoroethyl)-1,2-thiazole-3-carboxamide

C6H6BrFN2OS — CID 164656626

IUPAC4-bromo-N-(2-fluoroethyl)-1,2-thiazole-3-carboxamide
SMILESO=C(NCCF)c1nscc1Br
InChIInChI=1S/C6H6BrFN2OS/c7-4-3-12-10-5(4)6(11)9-2-1-8/h3H,1-2H2,(H,9,11)
InChIKeyHAPAQJJJMJYWJX-UHFFFAOYSA-N
MW253.10 g/mol
LogP1.60
Rot. Bonds3

About 4-bromo-N-(2-fluoroethyl)-1,2-thiazole-3-carboxamide

4-bromo-N-(2-fluoroethyl)-1,2-thiazole-3-carboxamide (PubChem CID 164656626) has the molecular formula C6H6BrFN2OS and a molecular weight of 253.10 g/mol. Its IUPAC name is 4-bromo-N-(2-fluoroethyl)-1,2-thiazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(2-fluoroethyl)-1,2-thiazole-3-carboxamide
PubChem CID164656626
Molecular FormulaC6H6BrFN2OS
Molecular Weight253.10 g/mol
Exact Mass251.94
IUPAC Name4-bromo-N-(2-fluoroethyl)-1,2-thiazole-3-carboxamide
SMILESO=C(NCCF)c1nscc1Br
InChIInChI=1S/C6H6BrFN2OS/c7-4-3-12-10-5(4)6(11)9-2-1-8/h3H,1-2H2,(H,9,11)
InChIKeyHAPAQJJJMJYWJX-UHFFFAOYSA-N
XLogP1.60
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-fluoroethyl)-1,2-thiazole-3-carboxamide?
The IUPAC name of 4-bromo-N-(2-fluoroethyl)-1,2-thiazole-3-carboxamide (CID 164656626) is 4-bromo-N-(2-fluoroethyl)-1,2-thiazole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-(2-fluoroethyl)-1,2-thiazole-3-carboxamide?
The canonical SMILES for 4-bromo-N-(2-fluoroethyl)-1,2-thiazole-3-carboxamide is O=C(NCCF)c1nscc1Br.
What is the InChIKey of 4-bromo-N-(2-fluoroethyl)-1,2-thiazole-3-carboxamide?
The InChIKey is HAPAQJJJMJYWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrFN2OS/c7-4-3-12-10-5(4)6(11)9-2-1-8/h3H,1-2H2,(H,9,11).
What are the key properties of 4-bromo-N-(2-fluoroethyl)-1,2-thiazole-3-carboxamide?
4-bromo-N-(2-fluoroethyl)-1,2-thiazole-3-carboxamide has a molecular weight of 253.10 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-fluoroethyl)-1,2-thiazole-3-carboxamide is sourced from PubChem (CID 164656626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).