butane;[ethoxy(1,3-thiazol-2-yl)methoxy]-hydroxy-oxophosphanium

C10H19NO4PS+ — CID 70131144

IUPACbutane;[ethoxy(1,3-thiazol-2-yl)methoxy]-hydroxy-oxophosphanium
SMILESCCCC.CCOC(O[P+](=O)O)c1nccs1
InChIInChI=1S/C6H8NO4PS.C4H10/c1-2-10-6(11-12(8)9)5-7-3-4-13-5;1-3-4-2/h3-4,6H,2H2,1H3;3-4H2,1-2H3/p+1
InChIKeyMJKZLEWCBUIKPC-UHFFFAOYSA-O
MW280.31 g/mol
LogP3.65
Rot. Bonds6

About butane;[ethoxy(1,3-thiazol-2-yl)methoxy]-hydroxy-oxophosphanium

butane;[ethoxy(1,3-thiazol-2-yl)methoxy]-hydroxy-oxophosphanium (PubChem CID 70131144) has the molecular formula C10H19NO4PS+ and a molecular weight of 280.31 g/mol. Its IUPAC name is butane;[ethoxy(1,3-thiazol-2-yl)methoxy]-hydroxy-oxophosphanium.

Molecular Properties

Compound Namebutane;[ethoxy(1,3-thiazol-2-yl)methoxy]-hydroxy-oxophosphanium
PubChem CID70131144
Molecular FormulaC10H19NO4PS+
Molecular Weight280.31 g/mol
Exact Mass280.08
IUPAC Namebutane;[ethoxy(1,3-thiazol-2-yl)methoxy]-hydroxy-oxophosphanium
SMILESCCCC.CCOC(O[P+](=O)O)c1nccs1
InChIInChI=1S/C6H8NO4PS.C4H10/c1-2-10-6(11-12(8)9)5-7-3-4-13-5;1-3-4-2/h3-4,6H,2H2,1H3;3-4H2,1-2H3/p+1
InChIKeyMJKZLEWCBUIKPC-UHFFFAOYSA-O
XLogP3.65
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(1,3-thiazol-2-yl)propanoate
CID 158867991
2-(1,3-thiazol-2-yl)butan-1-ol
CID 116987101
1-(1,3-thiazol-2-yl)octan-1-ol
CID 10943825
3-ethoxy-1-(1,3-thiazol-2-yl)hexan-2-ol
CID 116711385
ethyl 2-(cycloheptylamino)-2-(1,3-thiazol-2-yl)acetate
CID 113373043
2-(1-bromopropan-2-yl)-1,3-thiazole
CID 66470662
ethane;1-(1,3-thiazol-2-yl)propan-1-amine
CID 170585159
N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 46785149
(2-propoxyphenyl)-(1,3-thiazol-2-yl)methanol
CID 104658962
2-[1-(1,3-thiazol-2-yl)propylamino]pentanoic acid
CID 83041635
3-ethoxy-4,4-dimethyl-1-(1,3-thiazol-2-yl)pentan-2-one
CID 116709921
2-hydroxy-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 130693463

Frequently Asked Questions

What is the IUPAC name of butane;[ethoxy(1,3-thiazol-2-yl)methoxy]-hydroxy-oxophosphanium?
The IUPAC name of butane;[ethoxy(1,3-thiazol-2-yl)methoxy]-hydroxy-oxophosphanium (CID 70131144) is butane;[ethoxy(1,3-thiazol-2-yl)methoxy]-hydroxy-oxophosphanium.
What is the SMILES notation for butane;[ethoxy(1,3-thiazol-2-yl)methoxy]-hydroxy-oxophosphanium?
The canonical SMILES for butane;[ethoxy(1,3-thiazol-2-yl)methoxy]-hydroxy-oxophosphanium is CCCC.CCOC(O[P+](=O)O)c1nccs1.
What is the InChIKey of butane;[ethoxy(1,3-thiazol-2-yl)methoxy]-hydroxy-oxophosphanium?
The InChIKey is MJKZLEWCBUIKPC-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H8NO4PS.C4H10/c1-2-10-6(11-12(8)9)5-7-3-4-13-5;1-3-4-2/h3-4,6H,2H2,1H3;3-4H2,1-2H3/p+1.
What are the key properties of butane;[ethoxy(1,3-thiazol-2-yl)methoxy]-hydroxy-oxophosphanium?
butane;[ethoxy(1,3-thiazol-2-yl)methoxy]-hydroxy-oxophosphanium has a molecular weight of 280.31 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butane;[ethoxy(1,3-thiazol-2-yl)methoxy]-hydroxy-oxophosphanium is sourced from PubChem (CID 70131144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).