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

C9H12N3O2PS — CID 141022008

IUPAC2-amino-N-[2-(oxo-λ5-phosphanylidyne)ethyl]-5-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)c1sc(N)nc1C(=O)NCC#P=O
InChIInChI=1S/C9H12N3O2PS/c1-5(2)7-6(12-9(10)16-7)8(13)11-3-4-15-14/h5H,3H2,1-2H3,(H2,10,12)(H,11,13)
InChIKeyCYQBRSVFOFYOMQ-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.83
Rot. Bonds3

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

2-amino-N-[2-(oxo-λ5-phosphanylidyne)ethyl]-5-propan-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 141022008) has the molecular formula C9H12N3O2PS and a molecular weight of 257.25 g/mol. Its IUPAC name is 2-amino-N-[2-(oxo-λ5-phosphanylidyne)ethyl]-5-propan-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[2-(oxo-λ5-phosphanylidyne)ethyl]-5-propan-2-yl-1,3-thiazole-4-carboxamide
PubChem CID141022008
Molecular FormulaC9H12N3O2PS
Molecular Weight257.25 g/mol
Exact Mass257.04
IUPAC Name2-amino-N-[2-(oxo-λ5-phosphanylidyne)ethyl]-5-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)c1sc(N)nc1C(=O)NCC#P=O
InChIInChI=1S/C9H12N3O2PS/c1-5(2)7-6(12-9(10)16-7)8(13)11-3-4-15-14/h5H,3H2,1-2H3,(H2,10,12)(H,11,13)
InChIKeyCYQBRSVFOFYOMQ-UHFFFAOYSA-N
XLogP1.83
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.83
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-amino-N-[2-(oxo-λ5-phosphanylidyne)ethyl]-5-propan-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-[2-(oxo-λ5-phosphanylidyne)ethyl]-5-propan-2-yl-1,3-thiazole-4-carboxamide (CID 141022008) is 2-amino-N-[2-(oxo-λ5-phosphanylidyne)ethyl]-5-propan-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-[2-(oxo-λ5-phosphanylidyne)ethyl]-5-propan-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-[2-(oxo-λ5-phosphanylidyne)ethyl]-5-propan-2-yl-1,3-thiazole-4-carboxamide is CC(C)c1sc(N)nc1C(=O)NCC#P=O.
What is the InChIKey of 2-amino-N-[2-(oxo-λ5-phosphanylidyne)ethyl]-5-propan-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is CYQBRSVFOFYOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N3O2PS/c1-5(2)7-6(12-9(10)16-7)8(13)11-3-4-15-14/h5H,3H2,1-2H3,(H2,10,12)(H,11,13).
What are the key properties of 2-amino-N-[2-(oxo-λ5-phosphanylidyne)ethyl]-5-propan-2-yl-1,3-thiazole-4-carboxamide?
2-amino-N-[2-(oxo-λ5-phosphanylidyne)ethyl]-5-propan-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 257.25 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(oxo-λ5-phosphanylidyne)ethyl]-5-propan-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 141022008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).