1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)cyclopentane-1-carbothioamide

C13H18N4OS — CID 63025585

IUPAC1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)cyclopentane-1-carbothioamide
SMILESNC(=S)C1(C(=O)N2CCn3ccnc3C2)CCCC1
InChIInChI=1S/C13H18N4OS/c14-11(19)13(3-1-2-4-13)12(18)17-8-7-16-6-5-15-10(16)9-17/h5-6H,1-4,7-9H2,(H2,14,19)
InChIKeyHJTCHXADJSQWBA-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.07
Rot. Bonds2

About 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)cyclopentane-1-carbothioamide

1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)cyclopentane-1-carbothioamide (PubChem CID 63025585) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)cyclopentane-1-carbothioamide.

Molecular Properties

Compound Name1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)cyclopentane-1-carbothioamide
PubChem CID63025585
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)cyclopentane-1-carbothioamide
SMILESNC(=S)C1(C(=O)N2CCn3ccnc3C2)CCCC1
InChIInChI=1S/C13H18N4OS/c14-11(19)13(3-1-2-4-13)12(18)17-8-7-16-6-5-15-10(16)9-17/h5-6H,1-4,7-9H2,(H2,14,19)
InChIKeyHJTCHXADJSQWBA-UHFFFAOYSA-N
XLogP1.07
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)cyclopentane-1-carbothioamide?
The IUPAC name of 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)cyclopentane-1-carbothioamide (CID 63025585) is 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)cyclopentane-1-carbothioamide.
What is the SMILES notation for 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)cyclopentane-1-carbothioamide?
The canonical SMILES for 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)cyclopentane-1-carbothioamide is NC(=S)C1(C(=O)N2CCn3ccnc3C2)CCCC1.
What is the InChIKey of 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)cyclopentane-1-carbothioamide?
The InChIKey is HJTCHXADJSQWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c14-11(19)13(3-1-2-4-13)12(18)17-8-7-16-6-5-15-10(16)9-17/h5-6H,1-4,7-9H2,(H2,14,19).
What are the key properties of 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)cyclopentane-1-carbothioamide?
1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)cyclopentane-1-carbothioamide has a molecular weight of 278.38 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)cyclopentane-1-carbothioamide is sourced from PubChem (CID 63025585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).