[(2-amino-5-propan-2-yl-1,3-thiazole-4-carbonyl)amino]methylphosphonic acid

C8H14N3O4PS — CID 22280385

IUPAC[(2-amino-5-propan-2-yl-1,3-thiazole-4-carbonyl)amino]methylphosphonic acid
SMILESCC(C)c1sc(N)nc1C(=O)NCP(=O)(O)O
InChIInChI=1S/C8H14N3O4PS/c1-4(2)6-5(11-8(9)17-6)7(12)10-3-16(13,14)15/h4H,3H2,1-2H3,(H2,9,11)(H,10,12)(H2,13,14,15)
InChIKeyJYEGYYCUZBRVPO-UHFFFAOYSA-N
MW279.26 g/mol
LogP0.71
Rot. Bonds4

About [(2-amino-5-propan-2-yl-1,3-thiazole-4-carbonyl)amino]methylphosphonic acid

[(2-amino-5-propan-2-yl-1,3-thiazole-4-carbonyl)amino]methylphosphonic acid (PubChem CID 22280385) has the molecular formula C8H14N3O4PS and a molecular weight of 279.26 g/mol. Its IUPAC name is [(2-amino-5-propan-2-yl-1,3-thiazole-4-carbonyl)amino]methylphosphonic acid.

Molecular Properties

Compound Name[(2-amino-5-propan-2-yl-1,3-thiazole-4-carbonyl)amino]methylphosphonic acid
PubChem CID22280385
Molecular FormulaC8H14N3O4PS
Molecular Weight279.26 g/mol
Exact Mass279.04
IUPAC Name[(2-amino-5-propan-2-yl-1,3-thiazole-4-carbonyl)amino]methylphosphonic acid
SMILESCC(C)c1sc(N)nc1C(=O)NCP(=O)(O)O
InChIInChI=1S/C8H14N3O4PS/c1-4(2)6-5(11-8(9)17-6)7(12)10-3-16(13,14)15/h4H,3H2,1-2H3,(H2,9,11)(H,10,12)(H2,13,14,15)
InChIKeyJYEGYYCUZBRVPO-UHFFFAOYSA-N
XLogP0.71
TPSA125.54 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 50.71
H-Bond Donors ≤ 54
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-amino-5-propan-2-yl-1,3-thiazole-4-carbonyl)amino]methylphosphonic acid?
The IUPAC name of [(2-amino-5-propan-2-yl-1,3-thiazole-4-carbonyl)amino]methylphosphonic acid (CID 22280385) is [(2-amino-5-propan-2-yl-1,3-thiazole-4-carbonyl)amino]methylphosphonic acid.
What is the SMILES notation for [(2-amino-5-propan-2-yl-1,3-thiazole-4-carbonyl)amino]methylphosphonic acid?
The canonical SMILES for [(2-amino-5-propan-2-yl-1,3-thiazole-4-carbonyl)amino]methylphosphonic acid is CC(C)c1sc(N)nc1C(=O)NCP(=O)(O)O.
What is the InChIKey of [(2-amino-5-propan-2-yl-1,3-thiazole-4-carbonyl)amino]methylphosphonic acid?
The InChIKey is JYEGYYCUZBRVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N3O4PS/c1-4(2)6-5(11-8(9)17-6)7(12)10-3-16(13,14)15/h4H,3H2,1-2H3,(H2,9,11)(H,10,12)(H2,13,14,15).
What are the key properties of [(2-amino-5-propan-2-yl-1,3-thiazole-4-carbonyl)amino]methylphosphonic acid?
[(2-amino-5-propan-2-yl-1,3-thiazole-4-carbonyl)amino]methylphosphonic acid has a molecular weight of 279.26 g/mol, XLogP of 0.71, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-amino-5-propan-2-yl-1,3-thiazole-4-carbonyl)amino]methylphosphonic acid is sourced from PubChem (CID 22280385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).