[2-methoxy-5-(1,2-thiazol-3-yl)phenyl] dihydrogen phosphate

C10H10NO5PS — CID 123943271

IUPAC[2-methoxy-5-(1,2-thiazol-3-yl)phenyl] dihydrogen phosphate
SMILESCOc1ccc(-c2ccsn2)cc1OP(=O)(O)O
InChIInChI=1S/C10H10NO5PS/c1-15-9-3-2-7(8-4-5-18-11-8)6-10(9)16-17(12,13)14/h2-6H,1H3,(H2,12,13,14)
InChIKeyKVTLPGWABKHDIX-UHFFFAOYSA-N
MW287.23 g/mol
LogP2.29
Rot. Bonds4

About [2-methoxy-5-(1,2-thiazol-3-yl)phenyl] dihydrogen phosphate

[2-methoxy-5-(1,2-thiazol-3-yl)phenyl] dihydrogen phosphate (PubChem CID 123943271) has the molecular formula C10H10NO5PS and a molecular weight of 287.23 g/mol. Its IUPAC name is [2-methoxy-5-(1,2-thiazol-3-yl)phenyl] dihydrogen phosphate.

Molecular Properties

Compound Name[2-methoxy-5-(1,2-thiazol-3-yl)phenyl] dihydrogen phosphate
PubChem CID123943271
Molecular FormulaC10H10NO5PS
Molecular Weight287.23 g/mol
Exact Mass287.00
IUPAC Name[2-methoxy-5-(1,2-thiazol-3-yl)phenyl] dihydrogen phosphate
SMILESCOc1ccc(-c2ccsn2)cc1OP(=O)(O)O
InChIInChI=1S/C10H10NO5PS/c1-15-9-3-2-7(8-4-5-18-11-8)6-10(9)16-17(12,13)14/h2-6H,1H3,(H2,12,13,14)
InChIKeyKVTLPGWABKHDIX-UHFFFAOYSA-N
XLogP2.29
TPSA88.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 52.29
H-Bond Donors ≤ 52
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-methoxy-5-(1,2-thiazol-3-yl)phenyl] dihydrogen phosphate?
The IUPAC name of [2-methoxy-5-(1,2-thiazol-3-yl)phenyl] dihydrogen phosphate (CID 123943271) is [2-methoxy-5-(1,2-thiazol-3-yl)phenyl] dihydrogen phosphate.
What is the SMILES notation for [2-methoxy-5-(1,2-thiazol-3-yl)phenyl] dihydrogen phosphate?
The canonical SMILES for [2-methoxy-5-(1,2-thiazol-3-yl)phenyl] dihydrogen phosphate is COc1ccc(-c2ccsn2)cc1OP(=O)(O)O.
What is the InChIKey of [2-methoxy-5-(1,2-thiazol-3-yl)phenyl] dihydrogen phosphate?
The InChIKey is KVTLPGWABKHDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10NO5PS/c1-15-9-3-2-7(8-4-5-18-11-8)6-10(9)16-17(12,13)14/h2-6H,1H3,(H2,12,13,14).
What are the key properties of [2-methoxy-5-(1,2-thiazol-3-yl)phenyl] dihydrogen phosphate?
[2-methoxy-5-(1,2-thiazol-3-yl)phenyl] dihydrogen phosphate has a molecular weight of 287.23 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-5-(1,2-thiazol-3-yl)phenyl] dihydrogen phosphate is sourced from PubChem (CID 123943271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).