[fluoro-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-dioxido-oxo-λ5-phosphane

C7H9FNO3PS-2 — CID 19025770

IUPAC[fluoro-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-dioxido-oxo-λ5-phosphane
SMILESCC(C)c1csc(C(F)P(=O)([O-])[O-])n1
InChIInChI=1S/C7H11FNO3PS/c1-4(2)5-3-14-7(9-5)6(8)13(10,11)12/h3-4,6H,1-2H3,(H2,10,11,12)/p-2
InChIKeyPBVSEFNPDUIAJE-UHFFFAOYSA-L
MW237.19 g/mol
LogP1.15
Rot. Bonds3

About [fluoro-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-dioxido-oxo-λ5-phosphane

[fluoro-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-dioxido-oxo-λ5-phosphane (PubChem CID 19025770) has the molecular formula C7H9FNO3PS-2 and a molecular weight of 237.19 g/mol. Its IUPAC name is [fluoro-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-dioxido-oxo-λ5-phosphane.

Molecular Properties

Compound Name[fluoro-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-dioxido-oxo-λ5-phosphane
PubChem CID19025770
Molecular FormulaC7H9FNO3PS-2
Molecular Weight237.19 g/mol
Exact Mass237.00
IUPAC Name[fluoro-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-dioxido-oxo-λ5-phosphane
SMILESCC(C)c1csc(C(F)P(=O)([O-])[O-])n1
InChIInChI=1S/C7H11FNO3PS/c1-4(2)5-3-14-7(9-5)6(8)13(10,11)12/h3-4,6H,1-2H3,(H2,10,11,12)/p-2
InChIKeyPBVSEFNPDUIAJE-UHFFFAOYSA-L
XLogP1.15
TPSA76.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.19
LogP ≤ 51.15
H-Bond Donors ≤ 50
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 [fluoro-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-dioxido-oxo-λ5-phosphane?
The IUPAC name of [fluoro-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-dioxido-oxo-λ5-phosphane (CID 19025770) is [fluoro-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-dioxido-oxo-λ5-phosphane.
What is the SMILES notation for [fluoro-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-dioxido-oxo-λ5-phosphane?
The canonical SMILES for [fluoro-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-dioxido-oxo-λ5-phosphane is CC(C)c1csc(C(F)P(=O)([O-])[O-])n1.
What is the InChIKey of [fluoro-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-dioxido-oxo-λ5-phosphane?
The InChIKey is PBVSEFNPDUIAJE-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H11FNO3PS/c1-4(2)5-3-14-7(9-5)6(8)13(10,11)12/h3-4,6H,1-2H3,(H2,10,11,12)/p-2.
What are the key properties of [fluoro-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-dioxido-oxo-λ5-phosphane?
[fluoro-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-dioxido-oxo-λ5-phosphane has a molecular weight of 237.19 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [fluoro-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-dioxido-oxo-λ5-phosphane is sourced from PubChem (CID 19025770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).