7-(2-prop-2-enylsulfanylpropanoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide

C13H18N4O2S — CID 56701479

IUPAC7-(2-prop-2-enylsulfanylpropanoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
SMILESC=CCSC(C)C(=O)N1CCn2c(C(N)=O)cnc2C1
InChIInChI=1S/C13H18N4O2S/c1-3-6-20-9(2)13(19)16-4-5-17-10(12(14)18)7-15-11(17)8-16/h3,7,9H,1,4-6,8H2,2H3,(H2,14,18)
InChIKeyNKCDMMMHQXBJQA-UHFFFAOYSA-N
MW294.38 g/mol
LogP0.63
Rot. Bonds5

About 7-(2-prop-2-enylsulfanylpropanoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide

7-(2-prop-2-enylsulfanylpropanoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide (PubChem CID 56701479) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 7-(2-prop-2-enylsulfanylpropanoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name7-(2-prop-2-enylsulfanylpropanoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
PubChem CID56701479
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name7-(2-prop-2-enylsulfanylpropanoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
SMILESC=CCSC(C)C(=O)N1CCn2c(C(N)=O)cnc2C1
InChIInChI=1S/C13H18N4O2S/c1-3-6-20-9(2)13(19)16-4-5-17-10(12(14)18)7-15-11(17)8-16/h3,7,9H,1,4-6,8H2,2H3,(H2,14,18)
InChIKeyNKCDMMMHQXBJQA-UHFFFAOYSA-N
XLogP0.63
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-5H,6H,7H,8H-imidazo[1,5-a]pyrazin-8-one
CID 58970104
N-propyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
CID 71911616
[2-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyrazin-2-ylmethanone
CID 97467328
7-acetyl-N,N-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
CID 97468765
6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazin-2-yl(morpholin-4-yl)methanone
CID 53167862
N-(3-piperidin-1-ylpropyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide
CID 53167871
N-Methyl-N-propyl-5H,6H,7H,8H-imidazo[1,2-A]pyridine-2-carboxamide
CID 71835803
N-propyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 71838104
CID 134788850
CID 134788850
7-acetyl-N-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
CID 134788896
methyl 2-(prop-2-enylcarbamoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate
CID 134789604
Sdccgsbi-0662971.P001
CID 134790322

Frequently Asked Questions

What is the IUPAC name of 7-(2-prop-2-enylsulfanylpropanoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide?
The IUPAC name of 7-(2-prop-2-enylsulfanylpropanoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide (CID 56701479) is 7-(2-prop-2-enylsulfanylpropanoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide.
What is the SMILES notation for 7-(2-prop-2-enylsulfanylpropanoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide?
The canonical SMILES for 7-(2-prop-2-enylsulfanylpropanoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide is C=CCSC(C)C(=O)N1CCn2c(C(N)=O)cnc2C1.
What is the InChIKey of 7-(2-prop-2-enylsulfanylpropanoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide?
The InChIKey is NKCDMMMHQXBJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-3-6-20-9(2)13(19)16-4-5-17-10(12(14)18)7-15-11(17)8-16/h3,7,9H,1,4-6,8H2,2H3,(H2,14,18).
What are the key properties of 7-(2-prop-2-enylsulfanylpropanoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide?
7-(2-prop-2-enylsulfanylpropanoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 294.38 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-prop-2-enylsulfanylpropanoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 56701479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).