5-bromo-N-(1,3-oxazol-4-ylmethyl)-1,3-thiazol-2-amine

C7H6BrN3OS — CID 130651928

IUPAC5-bromo-N-(1,3-oxazol-4-ylmethyl)-1,3-thiazol-2-amine
SMILESBrc1cnc(NCc2cocn2)s1
InChIInChI=1S/C7H6BrN3OS/c8-6-2-10-7(13-6)9-1-5-3-12-4-11-5/h2-4H,1H2,(H,9,10)
InChIKeyDDXYYTAHPMRMDS-UHFFFAOYSA-N
MW260.12 g/mol
LogP2.51
Rot. Bonds3

About 5-bromo-N-(1,3-oxazol-4-ylmethyl)-1,3-thiazol-2-amine

5-bromo-N-(1,3-oxazol-4-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 130651928) has the molecular formula C7H6BrN3OS and a molecular weight of 260.12 g/mol. Its IUPAC name is 5-bromo-N-(1,3-oxazol-4-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-(1,3-oxazol-4-ylmethyl)-1,3-thiazol-2-amine
PubChem CID130651928
Molecular FormulaC7H6BrN3OS
Molecular Weight260.12 g/mol
Exact Mass258.94
IUPAC Name5-bromo-N-(1,3-oxazol-4-ylmethyl)-1,3-thiazol-2-amine
SMILESBrc1cnc(NCc2cocn2)s1
InChIInChI=1S/C7H6BrN3OS/c8-6-2-10-7(13-6)9-1-5-3-12-4-11-5/h2-4H,1H2,(H,9,10)
InChIKeyDDXYYTAHPMRMDS-UHFFFAOYSA-N
XLogP2.51
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.12
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1,3-oxazol-4-ylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-bromo-N-(1,3-oxazol-4-ylmethyl)-1,3-thiazol-2-amine (CID 130651928) is 5-bromo-N-(1,3-oxazol-4-ylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-bromo-N-(1,3-oxazol-4-ylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-bromo-N-(1,3-oxazol-4-ylmethyl)-1,3-thiazol-2-amine is Brc1cnc(NCc2cocn2)s1.
What is the InChIKey of 5-bromo-N-(1,3-oxazol-4-ylmethyl)-1,3-thiazol-2-amine?
The InChIKey is DDXYYTAHPMRMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN3OS/c8-6-2-10-7(13-6)9-1-5-3-12-4-11-5/h2-4H,1H2,(H,9,10).
What are the key properties of 5-bromo-N-(1,3-oxazol-4-ylmethyl)-1,3-thiazol-2-amine?
5-bromo-N-(1,3-oxazol-4-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 260.12 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1,3-oxazol-4-ylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 130651928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).