N-ethyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)-phenylphosphinothioyl]ethanamine

C18H22N3PS — CID 3634116

IUPACN-ethyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)-phenylphosphinothioyl]ethanamine
SMILESCCN(CC)P(=S)(c1ccccc1)c1c(C)nc2ccccn12
InChIInChI=1S/C18H22N3PS/c1-4-20(5-2)22(23,16-11-7-6-8-12-16)18-15(3)19-17-13-9-10-14-21(17)18/h6-14H,4-5H2,1-3H3
InChIKeyDMYFAQNOADOCTB-UHFFFAOYSA-N
MW343.44 g/mol
LogP3.33
Rot. Bonds5

About N-ethyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)-phenylphosphinothioyl]ethanamine

N-ethyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)-phenylphosphinothioyl]ethanamine (PubChem CID 3634116) has the molecular formula C18H22N3PS and a molecular weight of 343.44 g/mol. Its IUPAC name is N-ethyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)-phenylphosphinothioyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)-phenylphosphinothioyl]ethanamine
PubChem CID3634116
Molecular FormulaC18H22N3PS
Molecular Weight343.44 g/mol
Exact Mass343.13
IUPAC NameN-ethyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)-phenylphosphinothioyl]ethanamine
SMILESCCN(CC)P(=S)(c1ccccc1)c1c(C)nc2ccccn12
InChIInChI=1S/C18H22N3PS/c1-4-20(5-2)22(23,16-11-7-6-8-12-16)18-15(3)19-17-13-9-10-14-21(17)18/h6-14H,4-5H2,1-3H3
InChIKeyDMYFAQNOADOCTB-UHFFFAOYSA-N
XLogP3.33
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-ethyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)-phenylphosphinothioyl]ethanamine?
The IUPAC name of N-ethyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)-phenylphosphinothioyl]ethanamine (CID 3634116) is N-ethyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)-phenylphosphinothioyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)-phenylphosphinothioyl]ethanamine?
The canonical SMILES for N-ethyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)-phenylphosphinothioyl]ethanamine is CCN(CC)P(=S)(c1ccccc1)c1c(C)nc2ccccn12.
What is the InChIKey of N-ethyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)-phenylphosphinothioyl]ethanamine?
The InChIKey is DMYFAQNOADOCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N3PS/c1-4-20(5-2)22(23,16-11-7-6-8-12-16)18-15(3)19-17-13-9-10-14-21(17)18/h6-14H,4-5H2,1-3H3.
What are the key properties of N-ethyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)-phenylphosphinothioyl]ethanamine?
N-ethyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)-phenylphosphinothioyl]ethanamine has a molecular weight of 343.44 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)-phenylphosphinothioyl]ethanamine is sourced from PubChem (CID 3634116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).