2-bromo-N-(2-hydroxyethyl)-1,3-thiazole-5-carboxamide

C6H7BrN2O2S — CID 117093591

IUPAC2-bromo-N-(2-hydroxyethyl)-1,3-thiazole-5-carboxamide
SMILESO=C(NCCO)c1cnc(Br)s1
InChIInChI=1S/C6H7BrN2O2S/c7-6-9-3-4(12-6)5(11)8-1-2-10/h3,10H,1-2H2,(H,8,11)
InChIKeyKUKRJHFKLNAPDZ-UHFFFAOYSA-N
MW251.10 g/mol
LogP0.63
Rot. Bonds3

About 2-bromo-N-(2-hydroxyethyl)-1,3-thiazole-5-carboxamide

2-bromo-N-(2-hydroxyethyl)-1,3-thiazole-5-carboxamide (PubChem CID 117093591) has the molecular formula C6H7BrN2O2S and a molecular weight of 251.10 g/mol. Its IUPAC name is 2-bromo-N-(2-hydroxyethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(2-hydroxyethyl)-1,3-thiazole-5-carboxamide
PubChem CID117093591
Molecular FormulaC6H7BrN2O2S
Molecular Weight251.10 g/mol
Exact Mass249.94
IUPAC Name2-bromo-N-(2-hydroxyethyl)-1,3-thiazole-5-carboxamide
SMILESO=C(NCCO)c1cnc(Br)s1
InChIInChI=1S/C6H7BrN2O2S/c7-6-9-3-4(12-6)5(11)8-1-2-10/h3,10H,1-2H2,(H,8,11)
InChIKeyKUKRJHFKLNAPDZ-UHFFFAOYSA-N
XLogP0.63
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.10
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-hydroxyethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-bromo-N-(2-hydroxyethyl)-1,3-thiazole-5-carboxamide (CID 117093591) is 2-bromo-N-(2-hydroxyethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-bromo-N-(2-hydroxyethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-bromo-N-(2-hydroxyethyl)-1,3-thiazole-5-carboxamide is O=C(NCCO)c1cnc(Br)s1.
What is the InChIKey of 2-bromo-N-(2-hydroxyethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is KUKRJHFKLNAPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2O2S/c7-6-9-3-4(12-6)5(11)8-1-2-10/h3,10H,1-2H2,(H,8,11).
What are the key properties of 2-bromo-N-(2-hydroxyethyl)-1,3-thiazole-5-carboxamide?
2-bromo-N-(2-hydroxyethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 251.10 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-hydroxyethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 117093591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).