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

C10H12N3O5PS — CID 50992508

IUPAC[5-[2-amino-5-(dimethylcarbamoyl)-1,3-thiazol-4-yl]furan-2-yl]phosphonic acid
SMILESCN(C)C(=O)c1sc(N)nc1-c1ccc(P(=O)(O)O)o1
InChIInChI=1S/C10H12N3O5PS/c1-13(2)9(14)8-7(12-10(11)20-8)5-3-4-6(18-5)19(15,16)17/h3-4H,1-2H3,(H2,11,12)(H2,15,16,17)
InChIKeyIBVHORRLRRTDTI-UHFFFAOYSA-N
MW317.26 g/mol
LogP0.49
Rot. Bonds3

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

[5-[2-amino-5-(dimethylcarbamoyl)-1,3-thiazol-4-yl]furan-2-yl]phosphonic acid (PubChem CID 50992508) has the molecular formula C10H12N3O5PS and a molecular weight of 317.26 g/mol. Its IUPAC name is [5-[2-amino-5-(dimethylcarbamoyl)-1,3-thiazol-4-yl]furan-2-yl]phosphonic acid.

Molecular Properties

Compound Name[5-[2-amino-5-(dimethylcarbamoyl)-1,3-thiazol-4-yl]furan-2-yl]phosphonic acid
PubChem CID50992508
Molecular FormulaC10H12N3O5PS
Molecular Weight317.26 g/mol
Exact Mass317.02
IUPAC Name[5-[2-amino-5-(dimethylcarbamoyl)-1,3-thiazol-4-yl]furan-2-yl]phosphonic acid
SMILESCN(C)C(=O)c1sc(N)nc1-c1ccc(P(=O)(O)O)o1
InChIInChI=1S/C10H12N3O5PS/c1-13(2)9(14)8-7(12-10(11)20-8)5-3-4-6(18-5)19(15,16)17/h3-4H,1-2H3,(H2,11,12)(H2,15,16,17)
InChIKeyIBVHORRLRRTDTI-UHFFFAOYSA-N
XLogP0.49
TPSA129.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.26
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Mb-07803
CID 24770445
Mb-05032
CID 11289630
Bis(furan-2-yl)-1,3-thiazol-2-amine
CID 2428993
5-(2-Amino-5-(propylthio)thiazol-4-yl)furan-2-ylphosphonic acid
CID 20737672
{5-[2-Amino-5-(2,2-dimethylpropionyl)thiazol-4-yl]-furan-2-yl}phosphonic acid
CID 24770594
2-Amino-5-phenylthio-4-[2-(5-phosphono)furanyl]thiazole
CID 50992507
2-Amino-5-benzyloxycarbonyl-4-[2-(5-phosphono)furanyl]-thiazole
CID 50992509
2-Amino-5-(2-furanyl)-4-[2-(5-phosphono)furanyl]thiazole
CID 50992650
2-Amino-5-(2-thienyl)-4-[2-(5-phosphono)furanyl]thiazole
CID 50992651
2-Amino-5-isopropylthio-4-[2-(5-phosphono)furanyl]thiazole
CID 50992872
2-Methylamino-5-isobutyl-4-[2-(5-phosphono)furanyl]thiazole
CID 50993366
2-Amino-5-hydroxymethyl-4-[2-(5-phosphono)furanyl]thiazole
CID 50993448

Frequently Asked Questions

What is the IUPAC name of [5-[2-amino-5-(dimethylcarbamoyl)-1,3-thiazol-4-yl]furan-2-yl]phosphonic acid?
The IUPAC name of [5-[2-amino-5-(dimethylcarbamoyl)-1,3-thiazol-4-yl]furan-2-yl]phosphonic acid (CID 50992508) is [5-[2-amino-5-(dimethylcarbamoyl)-1,3-thiazol-4-yl]furan-2-yl]phosphonic acid.
What is the SMILES notation for [5-[2-amino-5-(dimethylcarbamoyl)-1,3-thiazol-4-yl]furan-2-yl]phosphonic acid?
The canonical SMILES for [5-[2-amino-5-(dimethylcarbamoyl)-1,3-thiazol-4-yl]furan-2-yl]phosphonic acid is CN(C)C(=O)c1sc(N)nc1-c1ccc(P(=O)(O)O)o1.
What is the InChIKey of [5-[2-amino-5-(dimethylcarbamoyl)-1,3-thiazol-4-yl]furan-2-yl]phosphonic acid?
The InChIKey is IBVHORRLRRTDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N3O5PS/c1-13(2)9(14)8-7(12-10(11)20-8)5-3-4-6(18-5)19(15,16)17/h3-4H,1-2H3,(H2,11,12)(H2,15,16,17).
What are the key properties of [5-[2-amino-5-(dimethylcarbamoyl)-1,3-thiazol-4-yl]furan-2-yl]phosphonic acid?
[5-[2-amino-5-(dimethylcarbamoyl)-1,3-thiazol-4-yl]furan-2-yl]phosphonic acid has a molecular weight of 317.26 g/mol, XLogP of 0.49, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-amino-5-(dimethylcarbamoyl)-1,3-thiazol-4-yl]furan-2-yl]phosphonic acid is sourced from PubChem (CID 50992508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).