N-[bis(diethoxyphosphoryl)methyl]-5-ethyl-1,3-thiazol-2-amine

C14H28N2O6P2S — CID 10960636

IUPACN-[bis(diethoxyphosphoryl)methyl]-5-ethyl-1,3-thiazol-2-amine
SMILESCCOP(=O)(OCC)C(Nc1ncc(CC)s1)P(=O)(OCC)OCC
InChIInChI=1S/C14H28N2O6P2S/c1-6-12-11-15-13(25-12)16-14(23(17,19-7-2)20-8-3)24(18,21-9-4)22-10-5/h11,14H,6-10H2,1-5H3,(H,15,16)
InChIKeyYRHXMGJQSQIXIZ-UHFFFAOYSA-N
MW414.40 g/mol
LogP4.93
Rot. Bonds13

About N-[bis(diethoxyphosphoryl)methyl]-5-ethyl-1,3-thiazol-2-amine

N-[bis(diethoxyphosphoryl)methyl]-5-ethyl-1,3-thiazol-2-amine (PubChem CID 10960636) has the molecular formula C14H28N2O6P2S and a molecular weight of 414.40 g/mol. Its IUPAC name is N-[bis(diethoxyphosphoryl)methyl]-5-ethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[bis(diethoxyphosphoryl)methyl]-5-ethyl-1,3-thiazol-2-amine
PubChem CID10960636
Molecular FormulaC14H28N2O6P2S
Molecular Weight414.40 g/mol
Exact Mass414.11
IUPAC NameN-[bis(diethoxyphosphoryl)methyl]-5-ethyl-1,3-thiazol-2-amine
SMILESCCOP(=O)(OCC)C(Nc1ncc(CC)s1)P(=O)(OCC)OCC
InChIInChI=1S/C14H28N2O6P2S/c1-6-12-11-15-13(25-12)16-14(23(17,19-7-2)20-8-3)24(18,21-9-4)22-10-5/h11,14H,6-10H2,1-5H3,(H,15,16)
InChIKeyYRHXMGJQSQIXIZ-UHFFFAOYSA-N
XLogP4.93
TPSA95.98 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.40
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[bis(diethoxyphosphoryl)methyl]-5-ethyl-1,3-thiazol-2-amine?
The IUPAC name of N-[bis(diethoxyphosphoryl)methyl]-5-ethyl-1,3-thiazol-2-amine (CID 10960636) is N-[bis(diethoxyphosphoryl)methyl]-5-ethyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[bis(diethoxyphosphoryl)methyl]-5-ethyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[bis(diethoxyphosphoryl)methyl]-5-ethyl-1,3-thiazol-2-amine is CCOP(=O)(OCC)C(Nc1ncc(CC)s1)P(=O)(OCC)OCC.
What is the InChIKey of N-[bis(diethoxyphosphoryl)methyl]-5-ethyl-1,3-thiazol-2-amine?
The InChIKey is YRHXMGJQSQIXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O6P2S/c1-6-12-11-15-13(25-12)16-14(23(17,19-7-2)20-8-3)24(18,21-9-4)22-10-5/h11,14H,6-10H2,1-5H3,(H,15,16).
What are the key properties of N-[bis(diethoxyphosphoryl)methyl]-5-ethyl-1,3-thiazol-2-amine?
N-[bis(diethoxyphosphoryl)methyl]-5-ethyl-1,3-thiazol-2-amine has a molecular weight of 414.40 g/mol, XLogP of 4.93, 13 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(diethoxyphosphoryl)methyl]-5-ethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 10960636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).