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

C12H16N3O5PS — CID 22280679

IUPAC[2-[2-amino-5-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]furan-3-yl]phosphonic acid
SMILESNc1nc(-c2occc2P(=O)(O)O)c(CN2CCOCC2)s1
InChIInChI=1S/C12H16N3O5PS/c13-12-14-10(11-8(1-4-20-11)21(16,17)18)9(22-12)7-15-2-5-19-6-3-15/h1,4H,2-3,5-7H2,(H2,13,14)(H2,16,17,18)
InChIKeyTVDBUXLQMVCPTE-UHFFFAOYSA-N
MW345.32 g/mol
LogP0.62
Rot. Bonds4

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

[2-[2-amino-5-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]furan-3-yl]phosphonic acid (PubChem CID 22280679) has the molecular formula C12H16N3O5PS and a molecular weight of 345.32 g/mol. Its IUPAC name is [2-[2-amino-5-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]furan-3-yl]phosphonic acid.

Molecular Properties

Compound Name[2-[2-amino-5-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]furan-3-yl]phosphonic acid
PubChem CID22280679
Molecular FormulaC12H16N3O5PS
Molecular Weight345.32 g/mol
Exact Mass345.05
IUPAC Name[2-[2-amino-5-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]furan-3-yl]phosphonic acid
SMILESNc1nc(-c2occc2P(=O)(O)O)c(CN2CCOCC2)s1
InChIInChI=1S/C12H16N3O5PS/c13-12-14-10(11-8(1-4-20-11)21(16,17)18)9(22-12)7-15-2-5-19-6-3-15/h1,4H,2-3,5-7H2,(H2,13,14)(H2,16,17,18)
InChIKeyTVDBUXLQMVCPTE-UHFFFAOYSA-N
XLogP0.62
TPSA122.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [2-[2-amino-5-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]furan-3-yl]phosphonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,3-thiazol-2-amine
CID 110180089
N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]benzamide
CID 16644485
2-(morpholin-4-ylmethyl)furan-3-amine
CID 82407819
N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]acetamide
CID 17163599
2-[2-amino-4-(4-chlorophenyl)-1,3-thiazol-5-yl]-1-morpholin-4-ylethanone
CID 12559825
[2-(morpholin-4-ylmethyl)furan-3-yl]boronic acid
CID 71065956
2-bromo-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]benzamide
CID 108750928
3-(morpholin-4-ylmethyl)furan-2-carboxylic acid
CID 43153189
5-(morpholin-4-ylmethyl)thiadiazole-4-carboxylic acid
CID 117214542
N-[4-methyl-5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 1338962
2-[3-(morpholin-4-ylmethyl)phenyl]ethylphosphonic acid
CID 155789739
N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]butanamide
CID 108726888

Frequently Asked Questions

What is the IUPAC name of [2-[2-amino-5-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]furan-3-yl]phosphonic acid?
The IUPAC name of [2-[2-amino-5-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]furan-3-yl]phosphonic acid (CID 22280679) is [2-[2-amino-5-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]furan-3-yl]phosphonic acid.
What is the SMILES notation for [2-[2-amino-5-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]furan-3-yl]phosphonic acid?
The canonical SMILES for [2-[2-amino-5-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]furan-3-yl]phosphonic acid is Nc1nc(-c2occc2P(=O)(O)O)c(CN2CCOCC2)s1.
What is the InChIKey of [2-[2-amino-5-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]furan-3-yl]phosphonic acid?
The InChIKey is TVDBUXLQMVCPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N3O5PS/c13-12-14-10(11-8(1-4-20-11)21(16,17)18)9(22-12)7-15-2-5-19-6-3-15/h1,4H,2-3,5-7H2,(H2,13,14)(H2,16,17,18).
What are the key properties of [2-[2-amino-5-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]furan-3-yl]phosphonic acid?
[2-[2-amino-5-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]furan-3-yl]phosphonic acid has a molecular weight of 345.32 g/mol, XLogP of 0.62, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-amino-5-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]furan-3-yl]phosphonic acid is sourced from PubChem (CID 22280679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).