dioxido-oxo-(1,3-thiazol-2-ylmethyl)-lambda5-phosphane

C4H4NO3PS-2 — CID 19370574

IUPACdioxido-oxo-(1,3-thiazol-2-ylmethyl)-lambda5-phosphane
SMILESO=P([O-])([O-])Cc1nccs1
InChIInChI=1S/C4H6NO3PS/c6-9(7,8)3-4-5-1-2-10-4/h1-2H,3H2,(H2,6,7,8)/p-2
InChIKeyGJGSEHMHBNGXEM-UHFFFAOYSA-L
MW177.12 g/mol
LogP-0.44
Rot. Bonds2

About dioxido-oxo-(1,3-thiazol-2-ylmethyl)-lambda5-phosphane

dioxido-oxo-(1,3-thiazol-2-ylmethyl)-lambda5-phosphane (PubChem CID 19370574) has the molecular formula C4H4NO3PS-2 and a molecular weight of 177.12 g/mol. Its IUPAC name is dioxido-oxo-(1,3-thiazol-2-ylmethyl)-lambda5-phosphane.

Molecular Properties

Compound Namedioxido-oxo-(1,3-thiazol-2-ylmethyl)-lambda5-phosphane
PubChem CID19370574
Molecular FormulaC4H4NO3PS-2
Molecular Weight177.12 g/mol
Exact Mass176.97
IUPAC Namedioxido-oxo-(1,3-thiazol-2-ylmethyl)-lambda5-phosphane
SMILESO=P([O-])([O-])Cc1nccs1
InChIInChI=1S/C4H6NO3PS/c6-9(7,8)3-4-5-1-2-10-4/h1-2H,3H2,(H2,6,7,8)/p-2
InChIKeyGJGSEHMHBNGXEM-UHFFFAOYSA-L
XLogP-0.44
TPSA76.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.12
LogP ≤ 5-0.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

disodium;2-phosphonato-N-(1,3-thiazol-2-yl)acetamide
CID 53319122
3-(1,3-thiazol-2-yl)propanamide
CID 45121787
2-(chloromethyl)-1,3-thiazole;hydrochloride
CID 23043559
3-(1,3-thiazol-2-yl)propanal;hydrobromide
CID 87751457
2-(2-methoxyethyl)-1,3-thiazole
CID 59275905
2-(1,3-thiazol-2-ylmethyl)prop-2-enamide
CID 57004643
molecular hydrogen;1,3-thiazol-2-ylmethyl carbamate
CID 143737487
2-(1,3-thiazol-2-ylmethylsulfanyl)acetamide
CID 56981215
(213C)1,3-thiazol-2-amine
CID 87204445
ethane;2-ethyl-1,3-thiazole;iodomethane
CID 168945349
2-(1,3-thiazol-2-yl)acetonitrile
CID 4913352
2-(1,3-thiazol-2-yl)ethanol;hydrochloride
CID 173116939

Frequently Asked Questions

What is the IUPAC name of dioxido-oxo-(1,3-thiazol-2-ylmethyl)-lambda5-phosphane?
The IUPAC name of dioxido-oxo-(1,3-thiazol-2-ylmethyl)-lambda5-phosphane (CID 19370574) is dioxido-oxo-(1,3-thiazol-2-ylmethyl)-lambda5-phosphane.
What is the SMILES notation for dioxido-oxo-(1,3-thiazol-2-ylmethyl)-lambda5-phosphane?
The canonical SMILES for dioxido-oxo-(1,3-thiazol-2-ylmethyl)-lambda5-phosphane is O=P([O-])([O-])Cc1nccs1.
What is the InChIKey of dioxido-oxo-(1,3-thiazol-2-ylmethyl)-lambda5-phosphane?
The InChIKey is GJGSEHMHBNGXEM-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H6NO3PS/c6-9(7,8)3-4-5-1-2-10-4/h1-2H,3H2,(H2,6,7,8)/p-2.
What are the key properties of dioxido-oxo-(1,3-thiazol-2-ylmethyl)-lambda5-phosphane?
dioxido-oxo-(1,3-thiazol-2-ylmethyl)-lambda5-phosphane has a molecular weight of 177.12 g/mol, XLogP of -0.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dioxido-oxo-(1,3-thiazol-2-ylmethyl)-lambda5-phosphane is sourced from PubChem (CID 19370574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).