(5-methyl-2-piperidin-1-yl-1,3-thiazol-4-yl)methylphosphonic acid

C10H17N2O3PS — CID 69216464

IUPAC(5-methyl-2-piperidin-1-yl-1,3-thiazol-4-yl)methylphosphonic acid
SMILESCc1sc(N2CCCCC2)nc1CP(=O)(O)O
InChIInChI=1S/C10H17N2O3PS/c1-8-9(7-16(13,14)15)11-10(17-8)12-5-3-2-4-6-12/h2-7H2,1H3,(H2,13,14,15)
InChIKeyGCGAQGHFAVMZRK-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.12
Rot. Bonds3

About (5-methyl-2-piperidin-1-yl-1,3-thiazol-4-yl)methylphosphonic acid

(5-methyl-2-piperidin-1-yl-1,3-thiazol-4-yl)methylphosphonic acid (PubChem CID 69216464) has the molecular formula C10H17N2O3PS and a molecular weight of 276.30 g/mol. Its IUPAC name is (5-methyl-2-piperidin-1-yl-1,3-thiazol-4-yl)methylphosphonic acid.

Molecular Properties

Compound Name(5-methyl-2-piperidin-1-yl-1,3-thiazol-4-yl)methylphosphonic acid
PubChem CID69216464
Molecular FormulaC10H17N2O3PS
Molecular Weight276.30 g/mol
Exact Mass276.07
IUPAC Name(5-methyl-2-piperidin-1-yl-1,3-thiazol-4-yl)methylphosphonic acid
SMILESCc1sc(N2CCCCC2)nc1CP(=O)(O)O
InChIInChI=1S/C10H17N2O3PS/c1-8-9(7-16(13,14)15)11-10(17-8)12-5-3-2-4-6-12/h2-7H2,1H3,(H2,13,14,15)
InChIKeyGCGAQGHFAVMZRK-UHFFFAOYSA-N
XLogP2.12
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-methyl-2-piperidin-1-yl-1,3-thiazol-4-yl)methylphosphonic acid?
The IUPAC name of (5-methyl-2-piperidin-1-yl-1,3-thiazol-4-yl)methylphosphonic acid (CID 69216464) is (5-methyl-2-piperidin-1-yl-1,3-thiazol-4-yl)methylphosphonic acid.
What is the SMILES notation for (5-methyl-2-piperidin-1-yl-1,3-thiazol-4-yl)methylphosphonic acid?
The canonical SMILES for (5-methyl-2-piperidin-1-yl-1,3-thiazol-4-yl)methylphosphonic acid is Cc1sc(N2CCCCC2)nc1CP(=O)(O)O.
What is the InChIKey of (5-methyl-2-piperidin-1-yl-1,3-thiazol-4-yl)methylphosphonic acid?
The InChIKey is GCGAQGHFAVMZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N2O3PS/c1-8-9(7-16(13,14)15)11-10(17-8)12-5-3-2-4-6-12/h2-7H2,1H3,(H2,13,14,15).
What are the key properties of (5-methyl-2-piperidin-1-yl-1,3-thiazol-4-yl)methylphosphonic acid?
(5-methyl-2-piperidin-1-yl-1,3-thiazol-4-yl)methylphosphonic acid has a molecular weight of 276.30 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-piperidin-1-yl-1,3-thiazol-4-yl)methylphosphonic acid is sourced from PubChem (CID 69216464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).