2-[[5-ethyl-3-(2-methylsulfanylethyl)imidazo[1,2-a]pyridin-2-yl]amino]-N-hydroxyacetamide

C14H20N4O2S — CID 141241042

IUPAC2-[[5-ethyl-3-(2-methylsulfanylethyl)imidazo[1,2-a]pyridin-2-yl]amino]-N-hydroxyacetamide
SMILESCCc1cccc2nc(NCC(=O)NO)c(CCSC)n12
InChIInChI=1S/C14H20N4O2S/c1-3-10-5-4-6-12-16-14(15-9-13(19)17-20)11(18(10)12)7-8-21-2/h4-6,15,20H,3,7-9H2,1-2H3,(H,17,19)
InChIKeyXOIPOEVQZXUFOY-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.72
Rot. Bonds7

About 2-[[5-ethyl-3-(2-methylsulfanylethyl)imidazo[1,2-a]pyridin-2-yl]amino]-N-hydroxyacetamide

2-[[5-ethyl-3-(2-methylsulfanylethyl)imidazo[1,2-a]pyridin-2-yl]amino]-N-hydroxyacetamide (PubChem CID 141241042) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 2-[[5-ethyl-3-(2-methylsulfanylethyl)imidazo[1,2-a]pyridin-2-yl]amino]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[[5-ethyl-3-(2-methylsulfanylethyl)imidazo[1,2-a]pyridin-2-yl]amino]-N-hydroxyacetamide
PubChem CID141241042
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name2-[[5-ethyl-3-(2-methylsulfanylethyl)imidazo[1,2-a]pyridin-2-yl]amino]-N-hydroxyacetamide
SMILESCCc1cccc2nc(NCC(=O)NO)c(CCSC)n12
InChIInChI=1S/C14H20N4O2S/c1-3-10-5-4-6-12-16-14(15-9-13(19)17-20)11(18(10)12)7-8-21-2/h4-6,15,20H,3,7-9H2,1-2H3,(H,17,19)
InChIKeyXOIPOEVQZXUFOY-UHFFFAOYSA-N
XLogP1.72
TPSA78.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-ethyl-3-(2-methylsulfanylethyl)imidazo[1,2-a]pyridin-2-yl]amino]-N-hydroxyacetamide?
The IUPAC name of 2-[[5-ethyl-3-(2-methylsulfanylethyl)imidazo[1,2-a]pyridin-2-yl]amino]-N-hydroxyacetamide (CID 141241042) is 2-[[5-ethyl-3-(2-methylsulfanylethyl)imidazo[1,2-a]pyridin-2-yl]amino]-N-hydroxyacetamide.
What is the SMILES notation for 2-[[5-ethyl-3-(2-methylsulfanylethyl)imidazo[1,2-a]pyridin-2-yl]amino]-N-hydroxyacetamide?
The canonical SMILES for 2-[[5-ethyl-3-(2-methylsulfanylethyl)imidazo[1,2-a]pyridin-2-yl]amino]-N-hydroxyacetamide is CCc1cccc2nc(NCC(=O)NO)c(CCSC)n12.
What is the InChIKey of 2-[[5-ethyl-3-(2-methylsulfanylethyl)imidazo[1,2-a]pyridin-2-yl]amino]-N-hydroxyacetamide?
The InChIKey is XOIPOEVQZXUFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-3-10-5-4-6-12-16-14(15-9-13(19)17-20)11(18(10)12)7-8-21-2/h4-6,15,20H,3,7-9H2,1-2H3,(H,17,19).
What are the key properties of 2-[[5-ethyl-3-(2-methylsulfanylethyl)imidazo[1,2-a]pyridin-2-yl]amino]-N-hydroxyacetamide?
2-[[5-ethyl-3-(2-methylsulfanylethyl)imidazo[1,2-a]pyridin-2-yl]amino]-N-hydroxyacetamide has a molecular weight of 308.41 g/mol, XLogP of 1.72, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-ethyl-3-(2-methylsulfanylethyl)imidazo[1,2-a]pyridin-2-yl]amino]-N-hydroxyacetamide is sourced from PubChem (CID 141241042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).