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

C11H16BrN2O4PS — CID 156613512

IUPAC[5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl]phosphonic acid;hydrobromide
SMILESBr.CC(C)Cc1sc(N)nc1-c1ccc(P(=O)(O)O)o1
InChIInChI=1S/C11H15N2O4PS.BrH/c1-6(2)5-8-10(13-11(12)19-8)7-3-4-9(17-7)18(14,15)16;/h3-4,6H,5H2,1-2H3,(H2,12,13)(H2,14,15,16);1H
InChIKeyMKDPXWINJXJYOJ-UHFFFAOYSA-N
MW383.20 g/mol
LogP2.56
Rot. Bonds4

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

[5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl]phosphonic acid;hydrobromide (PubChem CID 156613512) has the molecular formula C11H16BrN2O4PS and a molecular weight of 383.20 g/mol. Its IUPAC name is [5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl]phosphonic acid;hydrobromide.

Molecular Properties

Compound Name[5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl]phosphonic acid;hydrobromide
PubChem CID156613512
Molecular FormulaC11H16BrN2O4PS
Molecular Weight383.20 g/mol
Exact Mass381.98
IUPAC Name[5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl]phosphonic acid;hydrobromide
SMILESBr.CC(C)Cc1sc(N)nc1-c1ccc(P(=O)(O)O)o1
InChIInChI=1S/C11H15N2O4PS.BrH/c1-6(2)5-8-10(13-11(12)19-8)7-3-4-9(17-7)18(14,15)16;/h3-4,6H,5H2,1-2H3,(H2,12,13)(H2,14,15,16);1H
InChIKeyMKDPXWINJXJYOJ-UHFFFAOYSA-N
XLogP2.56
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.20
LogP ≤ 52.56
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 [5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl]phosphonic acid;hydrobromide?
The IUPAC name of [5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl]phosphonic acid;hydrobromide (CID 156613512) is [5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl]phosphonic acid;hydrobromide.
What is the SMILES notation for [5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl]phosphonic acid;hydrobromide?
The canonical SMILES for [5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl]phosphonic acid;hydrobromide is Br.CC(C)Cc1sc(N)nc1-c1ccc(P(=O)(O)O)o1.
What is the InChIKey of [5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl]phosphonic acid;hydrobromide?
The InChIKey is MKDPXWINJXJYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N2O4PS.BrH/c1-6(2)5-8-10(13-11(12)19-8)7-3-4-9(17-7)18(14,15)16;/h3-4,6H,5H2,1-2H3,(H2,12,13)(H2,14,15,16);1H.
What are the key properties of [5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl]phosphonic acid;hydrobromide?
[5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl]phosphonic acid;hydrobromide has a molecular weight of 383.20 g/mol, XLogP of 2.56, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl]phosphonic acid;hydrobromide is sourced from PubChem (CID 156613512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).