4-diethoxyphosphoryl-1,3-thiazol-2-amine

C7H13N2O3PS — CID 13301434

IUPAC4-diethoxyphosphoryl-1,3-thiazol-2-amine
SMILESCCOP(=O)(OCC)c1csc(N)n1
InChIInChI=1S/C7H13N2O3PS/c1-3-11-13(10,12-4-2)6-5-14-7(8)9-6/h5H,3-4H2,1-2H3,(H2,8,9)
InChIKeyZSVJIZYIYCHTTL-UHFFFAOYSA-N
MW236.23 g/mol
LogP1.62
Rot. Bonds5

About 4-diethoxyphosphoryl-1,3-thiazol-2-amine

4-diethoxyphosphoryl-1,3-thiazol-2-amine (PubChem CID 13301434) has the molecular formula C7H13N2O3PS and a molecular weight of 236.23 g/mol. Its IUPAC name is 4-diethoxyphosphoryl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-diethoxyphosphoryl-1,3-thiazol-2-amine
PubChem CID13301434
Molecular FormulaC7H13N2O3PS
Molecular Weight236.23 g/mol
Exact Mass236.04
IUPAC Name4-diethoxyphosphoryl-1,3-thiazol-2-amine
SMILESCCOP(=O)(OCC)c1csc(N)n1
InChIInChI=1S/C7H13N2O3PS/c1-3-11-13(10,12-4-2)6-5-14-7(8)9-6/h5H,3-4H2,1-2H3,(H2,8,9)
InChIKeyZSVJIZYIYCHTTL-UHFFFAOYSA-N
XLogP1.62
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-diethoxyphosphoryl-2-propan-2-yl-1,3-thiazole
CID 46839962
4-(diethoxyphosphorylmethyl)-1,3-thiazol-2-amine;methane
CID 159390747
4-[[ethoxy(methyl)phosphoryl]oxymethyl]-1,3-thiazol-2-amine;methane
CID 160840726
CID 11461408
CID 11461408
ethyl 2-amino-1,3-thiazole-4-carboxylate;ethyl 2-bromo-1,3-thiazole-4-carboxylate
CID 158338935
acetic acid;tris(4-ethyl-1,3-thiazol-2-amine)
CID 173153334
N-(2-amino-1,3-thiazol-4-yl)-N-ethoxyacetamide
CID 174581860
ethyl 2-(2-amino-1,3-thiazol-4-yl)-2-ethylbutanoate
CID 138673569
4-(5-diethoxyphosphorylfuran-2-yl)-5-iodo-1,3-thiazol-2-amine
CID 50993144
(2-amino-1,3-thiazol-4-yl) propanoate;hydrochloride
CID 87957803
propyl 2-amino-1,3-thiazole-4-carboxylate
CID 58670395
3-(2-amino-1,3-thiazol-4-yl)-3-ethoxybutan-2-one
CID 174520084

Frequently Asked Questions

What is the IUPAC name of 4-diethoxyphosphoryl-1,3-thiazol-2-amine?
The IUPAC name of 4-diethoxyphosphoryl-1,3-thiazol-2-amine (CID 13301434) is 4-diethoxyphosphoryl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-diethoxyphosphoryl-1,3-thiazol-2-amine?
The canonical SMILES for 4-diethoxyphosphoryl-1,3-thiazol-2-amine is CCOP(=O)(OCC)c1csc(N)n1.
What is the InChIKey of 4-diethoxyphosphoryl-1,3-thiazol-2-amine?
The InChIKey is ZSVJIZYIYCHTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N2O3PS/c1-3-11-13(10,12-4-2)6-5-14-7(8)9-6/h5H,3-4H2,1-2H3,(H2,8,9).
What are the key properties of 4-diethoxyphosphoryl-1,3-thiazol-2-amine?
4-diethoxyphosphoryl-1,3-thiazol-2-amine has a molecular weight of 236.23 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diethoxyphosphoryl-1,3-thiazol-2-amine is sourced from PubChem (CID 13301434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).