2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl dihydrogen phosphite

C7H12NO3PS — CID 143091465

IUPAC2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl dihydrogen phosphite
SMILESCc1nc(CCOP(O)O)sc1C
InChIInChI=1S/C7H12NO3PS/c1-5-6(2)13-7(8-5)3-4-11-12(9)10/h9-10H,3-4H2,1-2H3
InChIKeyJYVIGSXIEKSXBB-UHFFFAOYSA-N
MW221.22 g/mol
LogP1.53
Rot. Bonds4

About 2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl dihydrogen phosphite

2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl dihydrogen phosphite (PubChem CID 143091465) has the molecular formula C7H12NO3PS and a molecular weight of 221.22 g/mol. Its IUPAC name is 2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl dihydrogen phosphite.

Molecular Properties

Compound Name2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl dihydrogen phosphite
PubChem CID143091465
Molecular FormulaC7H12NO3PS
Molecular Weight221.22 g/mol
Exact Mass221.03
IUPAC Name2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl dihydrogen phosphite
SMILESCc1nc(CCOP(O)O)sc1C
InChIInChI=1S/C7H12NO3PS/c1-5-6(2)13-7(8-5)3-4-11-12(9)10/h9-10H,3-4H2,1-2H3
InChIKeyJYVIGSXIEKSXBB-UHFFFAOYSA-N
XLogP1.53
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 51.53
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-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl dihydrogen phosphite?
The IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl dihydrogen phosphite (CID 143091465) is 2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl dihydrogen phosphite.
What is the SMILES notation for 2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl dihydrogen phosphite?
The canonical SMILES for 2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl dihydrogen phosphite is Cc1nc(CCOP(O)O)sc1C.
What is the InChIKey of 2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl dihydrogen phosphite?
The InChIKey is JYVIGSXIEKSXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12NO3PS/c1-5-6(2)13-7(8-5)3-4-11-12(9)10/h9-10H,3-4H2,1-2H3.
What are the key properties of 2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl dihydrogen phosphite?
2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl dihydrogen phosphite has a molecular weight of 221.22 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl dihydrogen phosphite is sourced from PubChem (CID 143091465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).