N-bis(2-methylimidazo[1,2-a]pyridin-3-yl)phosphinothioyl-N-ethylethanamine

C20H24N5PS — CID 3369283

IUPACN-bis(2-methylimidazo[1,2-a]pyridin-3-yl)phosphinothioyl-N-ethylethanamine
SMILESCCN(CC)P(=S)(c1c(C)nc2ccccn12)c1c(C)nc2ccccn12
InChIInChI=1S/C20H24N5PS/c1-5-23(6-2)26(27,19-15(3)21-17-11-7-9-13-24(17)19)20-16(4)22-18-12-8-10-14-25(18)20/h7-14H,5-6H2,1-4H3
InChIKeySUNPCEGMYDDMFZ-UHFFFAOYSA-N
MW397.49 g/mol
LogP3.29
Rot. Bonds5

About N-bis(2-methylimidazo[1,2-a]pyridin-3-yl)phosphinothioyl-N-ethylethanamine

N-bis(2-methylimidazo[1,2-a]pyridin-3-yl)phosphinothioyl-N-ethylethanamine (PubChem CID 3369283) has the molecular formula C20H24N5PS and a molecular weight of 397.49 g/mol. Its IUPAC name is N-bis(2-methylimidazo[1,2-a]pyridin-3-yl)phosphinothioyl-N-ethylethanamine.

Molecular Properties

Compound NameN-bis(2-methylimidazo[1,2-a]pyridin-3-yl)phosphinothioyl-N-ethylethanamine
PubChem CID3369283
Molecular FormulaC20H24N5PS
Molecular Weight397.49 g/mol
Exact Mass397.15
IUPAC NameN-bis(2-methylimidazo[1,2-a]pyridin-3-yl)phosphinothioyl-N-ethylethanamine
SMILESCCN(CC)P(=S)(c1c(C)nc2ccccn12)c1c(C)nc2ccccn12
InChIInChI=1S/C20H24N5PS/c1-5-23(6-2)26(27,19-15(3)21-17-11-7-9-13-24(17)19)20-16(4)22-18-12-8-10-14-25(18)20/h7-14H,5-6H2,1-4H3
InChIKeySUNPCEGMYDDMFZ-UHFFFAOYSA-N
XLogP3.29
TPSA37.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 53.29
H-Bond Donors ≤ 50
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 N-bis(2-methylimidazo[1,2-a]pyridin-3-yl)phosphinothioyl-N-ethylethanamine?
The IUPAC name of N-bis(2-methylimidazo[1,2-a]pyridin-3-yl)phosphinothioyl-N-ethylethanamine (CID 3369283) is N-bis(2-methylimidazo[1,2-a]pyridin-3-yl)phosphinothioyl-N-ethylethanamine.
What is the SMILES notation for N-bis(2-methylimidazo[1,2-a]pyridin-3-yl)phosphinothioyl-N-ethylethanamine?
The canonical SMILES for N-bis(2-methylimidazo[1,2-a]pyridin-3-yl)phosphinothioyl-N-ethylethanamine is CCN(CC)P(=S)(c1c(C)nc2ccccn12)c1c(C)nc2ccccn12.
What is the InChIKey of N-bis(2-methylimidazo[1,2-a]pyridin-3-yl)phosphinothioyl-N-ethylethanamine?
The InChIKey is SUNPCEGMYDDMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N5PS/c1-5-23(6-2)26(27,19-15(3)21-17-11-7-9-13-24(17)19)20-16(4)22-18-12-8-10-14-25(18)20/h7-14H,5-6H2,1-4H3.
What are the key properties of N-bis(2-methylimidazo[1,2-a]pyridin-3-yl)phosphinothioyl-N-ethylethanamine?
N-bis(2-methylimidazo[1,2-a]pyridin-3-yl)phosphinothioyl-N-ethylethanamine has a molecular weight of 397.49 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-bis(2-methylimidazo[1,2-a]pyridin-3-yl)phosphinothioyl-N-ethylethanamine is sourced from PubChem (CID 3369283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).