[2-(2-amino-5-cyclopropyl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid;hydrobromide

C10H12BrN2O4PS — CID 22280393

IUPAC[2-(2-amino-5-cyclopropyl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid;hydrobromide
SMILESBr.Nc1nc(-c2occc2P(=O)(O)O)c(C2CC2)s1
InChIInChI=1S/C10H11N2O4PS.BrH/c11-10-12-7(9(18-10)5-1-2-5)8-6(3-4-16-8)17(13,14)15;/h3-5H,1-2H2,(H2,11,12)(H2,13,14,15);1H
InChIKeyGOHFLYZENXZERQ-UHFFFAOYSA-N
MW367.16 g/mol
LogP2.24
Rot. Bonds3

About [2-(2-amino-5-cyclopropyl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid;hydrobromide

[2-(2-amino-5-cyclopropyl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid;hydrobromide (PubChem CID 22280393) has the molecular formula C10H12BrN2O4PS and a molecular weight of 367.16 g/mol. Its IUPAC name is [2-(2-amino-5-cyclopropyl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid;hydrobromide.

Molecular Properties

Compound Name[2-(2-amino-5-cyclopropyl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid;hydrobromide
PubChem CID22280393
Molecular FormulaC10H12BrN2O4PS
Molecular Weight367.16 g/mol
Exact Mass365.94
IUPAC Name[2-(2-amino-5-cyclopropyl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid;hydrobromide
SMILESBr.Nc1nc(-c2occc2P(=O)(O)O)c(C2CC2)s1
InChIInChI=1S/C10H11N2O4PS.BrH/c11-10-12-7(9(18-10)5-1-2-5)8-6(3-4-16-8)17(13,14)15;/h3-5H,1-2H2,(H2,11,12)(H2,13,14,15);1H
InChIKeyGOHFLYZENXZERQ-UHFFFAOYSA-N
XLogP2.24
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.16
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(2-amino-5-cyclopropyl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid;hydrobromide?
The IUPAC name of [2-(2-amino-5-cyclopropyl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid;hydrobromide (CID 22280393) is [2-(2-amino-5-cyclopropyl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid;hydrobromide.
What is the SMILES notation for [2-(2-amino-5-cyclopropyl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid;hydrobromide?
The canonical SMILES for [2-(2-amino-5-cyclopropyl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid;hydrobromide is Br.Nc1nc(-c2occc2P(=O)(O)O)c(C2CC2)s1.
What is the InChIKey of [2-(2-amino-5-cyclopropyl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid;hydrobromide?
The InChIKey is GOHFLYZENXZERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N2O4PS.BrH/c11-10-12-7(9(18-10)5-1-2-5)8-6(3-4-16-8)17(13,14)15;/h3-5H,1-2H2,(H2,11,12)(H2,13,14,15);1H.
What are the key properties of [2-(2-amino-5-cyclopropyl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid;hydrobromide?
[2-(2-amino-5-cyclopropyl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid;hydrobromide has a molecular weight of 367.16 g/mol, XLogP of 2.24, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-amino-5-cyclopropyl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid;hydrobromide is sourced from PubChem (CID 22280393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).