1-[2-[(R)-amino(phosphanyl)methyl]-1,3-thiazol-4-yl]ethanone

C6H9N2OPS — CID 146247305

IUPAC1-[2-[(R)-amino(phosphanyl)methyl]-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc([C@H](N)P)n1
InChIInChI=1S/C6H9N2OPS/c1-3(9)4-2-11-6(8-4)5(7)10/h2,5H,7,10H2,1H3/t5-/m1/s1
InChIKeyQJMIKMIRRSHWFD-RXMQYKEDSA-N
MW188.19 g/mol
LogP1.18
Rot. Bonds2

About 1-[2-[(R)-amino(phosphanyl)methyl]-1,3-thiazol-4-yl]ethanone

1-[2-[(R)-amino(phosphanyl)methyl]-1,3-thiazol-4-yl]ethanone (PubChem CID 146247305) has the molecular formula C6H9N2OPS and a molecular weight of 188.19 g/mol. Its IUPAC name is 1-[2-[(R)-amino(phosphanyl)methyl]-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-[(R)-amino(phosphanyl)methyl]-1,3-thiazol-4-yl]ethanone
PubChem CID146247305
Molecular FormulaC6H9N2OPS
Molecular Weight188.19 g/mol
Exact Mass188.02
IUPAC Name1-[2-[(R)-amino(phosphanyl)methyl]-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc([C@H](N)P)n1
InChIInChI=1S/C6H9N2OPS/c1-3(9)4-2-11-6(8-4)5(7)10/h2,5H,7,10H2,1H3/t5-/m1/s1
InChIKeyQJMIKMIRRSHWFD-RXMQYKEDSA-N
XLogP1.18
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-heptan-4-yl-1,3-thiazol-4-yl)ethanone
CID 71026114
1-(2-amino-1,3-thiazol-4-yl)ethanone
CID 3111964
2-(1-aminoethyl)-N-hydroxy-1,3-thiazole-4-carboxamide
CID 66389377
(2S)-N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-3,3-dimethylbutanamide
CID 64557720
1-[2-[cyclohexyl(methoxy)methyl]-1,3-thiazol-4-yl]ethanone
CID 116774203
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-phenylmethanone
CID 116585747
2-(1-aminoethyl)-N-cycloheptyl-N-methyl-1,3-thiazole-4-carboxamide
CID 66390398
2-[1-[(2-amino-3,3-dimethylbutanoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 77135788
2-[(1R)-1-azaniumylethyl]-1,3-thiazole-4-carboxylate
CID 42251579
2-(1-aminoethyl)-N-(1-hydroxypropan-2-yl)-1,3-thiazole-4-carboxamide
CID 66375369
2-(1-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide
CID 66374745
2-(1-aminoethyl)-N-(3,5-dimethylcyclohexyl)-1,3-thiazole-4-carboxamide
CID 66389960

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(R)-amino(phosphanyl)methyl]-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[2-[(R)-amino(phosphanyl)methyl]-1,3-thiazol-4-yl]ethanone (CID 146247305) is 1-[2-[(R)-amino(phosphanyl)methyl]-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-[(R)-amino(phosphanyl)methyl]-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[2-[(R)-amino(phosphanyl)methyl]-1,3-thiazol-4-yl]ethanone is CC(=O)c1csc([C@H](N)P)n1.
What is the InChIKey of 1-[2-[(R)-amino(phosphanyl)methyl]-1,3-thiazol-4-yl]ethanone?
The InChIKey is QJMIKMIRRSHWFD-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H9N2OPS/c1-3(9)4-2-11-6(8-4)5(7)10/h2,5H,7,10H2,1H3/t5-/m1/s1.
What are the key properties of 1-[2-[(R)-amino(phosphanyl)methyl]-1,3-thiazol-4-yl]ethanone?
1-[2-[(R)-amino(phosphanyl)methyl]-1,3-thiazol-4-yl]ethanone has a molecular weight of 188.19 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(R)-amino(phosphanyl)methyl]-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 146247305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).