2-amino-5-ethyl-N-[2-(oxo-λ5-phosphanylidyne)ethyl]-1,3-thiazole-4-carboxamide

C8H10N3O2PS — CID 141021945

IUPAC2-amino-5-ethyl-N-[2-(oxo-λ5-phosphanylidyne)ethyl]-1,3-thiazole-4-carboxamide
SMILESCCc1sc(N)nc1C(=O)NCC#P=O
InChIInChI=1S/C8H10N3O2PS/c1-2-5-6(11-8(9)15-5)7(12)10-3-4-14-13/h2-3H2,1H3,(H2,9,11)(H,10,12)
InChIKeyGILMYIRELSMLJW-UHFFFAOYSA-N
MW243.23 g/mol
LogP1.27
Rot. Bonds3

About 2-amino-5-ethyl-N-[2-(oxo-λ5-phosphanylidyne)ethyl]-1,3-thiazole-4-carboxamide

2-amino-5-ethyl-N-[2-(oxo-λ5-phosphanylidyne)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 141021945) has the molecular formula C8H10N3O2PS and a molecular weight of 243.23 g/mol. Its IUPAC name is 2-amino-5-ethyl-N-[2-(oxo-λ5-phosphanylidyne)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-5-ethyl-N-[2-(oxo-λ5-phosphanylidyne)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID141021945
Molecular FormulaC8H10N3O2PS
Molecular Weight243.23 g/mol
Exact Mass243.02
IUPAC Name2-amino-5-ethyl-N-[2-(oxo-λ5-phosphanylidyne)ethyl]-1,3-thiazole-4-carboxamide
SMILESCCc1sc(N)nc1C(=O)NCC#P=O
InChIInChI=1S/C8H10N3O2PS/c1-2-5-6(11-8(9)15-5)7(12)10-3-4-14-13/h2-3H2,1H3,(H2,9,11)(H,10,12)
InChIKeyGILMYIRELSMLJW-UHFFFAOYSA-N
XLogP1.27
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-amino-5-ethyl-N-[2-(oxo-λ5-phosphanylidyne)ethyl]-1,3-thiazole-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-ethyl-N-[2-(oxo-λ5-phosphanylidyne)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-5-ethyl-N-[2-(oxo-λ5-phosphanylidyne)ethyl]-1,3-thiazole-4-carboxamide (CID 141021945) is 2-amino-5-ethyl-N-[2-(oxo-λ5-phosphanylidyne)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-5-ethyl-N-[2-(oxo-λ5-phosphanylidyne)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-5-ethyl-N-[2-(oxo-λ5-phosphanylidyne)ethyl]-1,3-thiazole-4-carboxamide is CCc1sc(N)nc1C(=O)NCC#P=O.
What is the InChIKey of 2-amino-5-ethyl-N-[2-(oxo-λ5-phosphanylidyne)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is GILMYIRELSMLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N3O2PS/c1-2-5-6(11-8(9)15-5)7(12)10-3-4-14-13/h2-3H2,1H3,(H2,9,11)(H,10,12).
What are the key properties of 2-amino-5-ethyl-N-[2-(oxo-λ5-phosphanylidyne)ethyl]-1,3-thiazole-4-carboxamide?
2-amino-5-ethyl-N-[2-(oxo-λ5-phosphanylidyne)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 243.23 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-ethyl-N-[2-(oxo-λ5-phosphanylidyne)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 141021945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).