2-(2-methyl-1,3-thiazol-5-yl)ethyl dihydrogen phosphate

C6H10NO4PS — CID 20795947

IUPAC2-(2-methyl-1,3-thiazol-5-yl)ethyl dihydrogen phosphate
SMILESCc1ncc(CCOP(=O)(O)O)s1
InChIInChI=1S/C6H10NO4PS/c1-5-7-4-6(13-5)2-3-11-12(8,9)10/h4H,2-3H2,1H3,(H2,8,9,10)
InChIKeyHJMIWBDMHNGKSD-UHFFFAOYSA-N
MW223.19 g/mol
LogP1.10
Rot. Bonds4

About 2-(2-methyl-1,3-thiazol-5-yl)ethyl dihydrogen phosphate

2-(2-methyl-1,3-thiazol-5-yl)ethyl dihydrogen phosphate (PubChem CID 20795947) has the molecular formula C6H10NO4PS and a molecular weight of 223.19 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-5-yl)ethyl dihydrogen phosphate.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-5-yl)ethyl dihydrogen phosphate
PubChem CID20795947
Molecular FormulaC6H10NO4PS
Molecular Weight223.19 g/mol
Exact Mass223.01
IUPAC Name2-(2-methyl-1,3-thiazol-5-yl)ethyl dihydrogen phosphate
SMILESCc1ncc(CCOP(=O)(O)O)s1
InChIInChI=1S/C6H10NO4PS/c1-5-7-4-6(13-5)2-3-11-12(8,9)10/h4H,2-3H2,1H3,(H2,8,9,10)
InChIKeyHJMIWBDMHNGKSD-UHFFFAOYSA-N
XLogP1.10
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.19
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-methyl-1,3-thiazol-5-yl)ethyl dihydrogen phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-Methyl-thiazol-5-yl)-ethanol
CID 529638
5-(2,2-Dimethoxyethyl)-2-methyl-1,3-thiazole
CID 138987761
5-(2-Methoxyethyl)-2-(trifluoromethyl)-1,3-thiazole
CID 66911472
[(5-Ethyl-1,3-thiazol-2-yl)-phosphonomethyl]phosphonic acid
CID 17938600
2-(2-Propyl-1,3-thiazol-5-yl)ethanol
CID 20369851
[1-Hydroxy-2-(2-methyl-1,3-thiazol-5-yl)-1-phosphonoethyl]phosphonic acid
CID 21288922
[2-(2-Methyl-1,3-thiazol-5-yl)-1-phosphonoethyl]phosphonic acid
CID 21288925
[2-(2-Chloro-1,3-thiazol-5-yl)-1-hydroxy-1-phosphonoethyl]phosphonic acid
CID 21288935
[2-(2-Methyl-1,3-thiazol-5-yl)-1-phosphonopropyl]phosphonic acid
CID 21288961
2-(3-Ethyl-2-methyl-1,3-thiazol-3-ium-5-yl)ethanol
CID 54119608
5-(2-Ethoxyethyl)-1,3-thiazole
CID 67275426
5-(2-Methoxyethyl)-2-methyl-1,3-thiazole
CID 67682440

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-thiazol-5-yl)ethyl dihydrogen phosphate?
The IUPAC name of 2-(2-methyl-1,3-thiazol-5-yl)ethyl dihydrogen phosphate (CID 20795947) is 2-(2-methyl-1,3-thiazol-5-yl)ethyl dihydrogen phosphate.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-5-yl)ethyl dihydrogen phosphate?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-5-yl)ethyl dihydrogen phosphate is Cc1ncc(CCOP(=O)(O)O)s1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-5-yl)ethyl dihydrogen phosphate?
The InChIKey is HJMIWBDMHNGKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10NO4PS/c1-5-7-4-6(13-5)2-3-11-12(8,9)10/h4H,2-3H2,1H3,(H2,8,9,10).
What are the key properties of 2-(2-methyl-1,3-thiazol-5-yl)ethyl dihydrogen phosphate?
2-(2-methyl-1,3-thiazol-5-yl)ethyl dihydrogen phosphate has a molecular weight of 223.19 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-5-yl)ethyl dihydrogen phosphate is sourced from PubChem (CID 20795947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).