N-(5-bromo-1,3-thiazol-2-yl)-3-methyl-1,2-oxazole-5-carboxamide

C8H6BrN3O2S — CID 60784496

IUPACN-(5-bromo-1,3-thiazol-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2ncc(Br)s2)on1
InChIInChI=1S/C8H6BrN3O2S/c1-4-2-5(14-12-4)7(13)11-8-10-3-6(9)15-8/h2-3H,1H3,(H,10,11,13)
InChIKeyCROQSYLQESBWGM-UHFFFAOYSA-N
MW288.13 g/mol
LogP2.45
Rot. Bonds2

About N-(5-bromo-1,3-thiazol-2-yl)-3-methyl-1,2-oxazole-5-carboxamide

N-(5-bromo-1,3-thiazol-2-yl)-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 60784496) has the molecular formula C8H6BrN3O2S and a molecular weight of 288.13 g/mol. Its IUPAC name is N-(5-bromo-1,3-thiazol-2-yl)-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-1,3-thiazol-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID60784496
Molecular FormulaC8H6BrN3O2S
Molecular Weight288.13 g/mol
Exact Mass286.94
IUPAC NameN-(5-bromo-1,3-thiazol-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2ncc(Br)s2)on1
InChIInChI=1S/C8H6BrN3O2S/c1-4-2-5(14-12-4)7(13)11-8-10-3-6(9)15-8/h2-3H,1H3,(H,10,11,13)
InChIKeyCROQSYLQESBWGM-UHFFFAOYSA-N
XLogP2.45
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.13
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-3-methyl-1,2-oxazole-5-carboxamide (CID 60784496) is N-(5-bromo-1,3-thiazol-2-yl)-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(5-bromo-1,3-thiazol-2-yl)-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(5-bromo-1,3-thiazol-2-yl)-3-methyl-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)Nc2ncc(Br)s2)on1.
What is the InChIKey of N-(5-bromo-1,3-thiazol-2-yl)-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is CROQSYLQESBWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3O2S/c1-4-2-5(14-12-4)7(13)11-8-10-3-6(9)15-8/h2-3H,1H3,(H,10,11,13).
What are the key properties of N-(5-bromo-1,3-thiazol-2-yl)-3-methyl-1,2-oxazole-5-carboxamide?
N-(5-bromo-1,3-thiazol-2-yl)-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 288.13 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1,3-thiazol-2-yl)-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 60784496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).