N-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbothioamide

C9H14N4S — CID 116508456

IUPACN-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbothioamide
SMILESCCNC(=S)N1CCn2ccnc2C1
InChIInChI=1S/C9H14N4S/c1-2-10-9(14)13-6-5-12-4-3-11-8(12)7-13/h3-4H,2,5-7H2,1H3,(H,10,14)
InChIKeyCMSBPDJEPCNAIQ-UHFFFAOYSA-N
MW210.31 g/mol
LogP0.59
Rot. Bonds1

About N-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbothioamide

N-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbothioamide (PubChem CID 116508456) has the molecular formula C9H14N4S and a molecular weight of 210.31 g/mol. Its IUPAC name is N-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbothioamide.

Molecular Properties

Compound NameN-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbothioamide
PubChem CID116508456
Molecular FormulaC9H14N4S
Molecular Weight210.31 g/mol
Exact Mass210.09
IUPAC NameN-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbothioamide
SMILESCCNC(=S)N1CCn2ccnc2C1
InChIInChI=1S/C9H14N4S/c1-2-10-9(14)13-6-5-12-4-3-11-8(12)7-13/h3-4H,2,5-7H2,1H3,(H,10,14)
InChIKeyCMSBPDJEPCNAIQ-UHFFFAOYSA-N
XLogP0.59
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.31
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbothioamide
CID 115620833
methyl 6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate
CID 110712648
2-bromo-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone
CID 63680123
(2S)-2-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-one;dihydrochloride
CID 119874214
(2S)-2-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pentan-1-one
CID 94939389
6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[3-(ethylamino)-4-pyridinyl]methanone
CID 105069994
butane;7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 144770368
(2S)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonylamino)-3-hydroxypropanoic acid
CID 63026894
6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[4-(ethylamino)-6-methyl-3-pyridinyl]methanone
CID 81237982
(2S,3S)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonylamino)-3-methylpentanoic acid
CID 63026749
3-[6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl(ethyl)amino]butanoic acid
CID 63026893
2-amino-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonylamino)propanoic acid
CID 67154587

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbothioamide?
The IUPAC name of N-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbothioamide (CID 116508456) is N-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbothioamide.
What is the SMILES notation for N-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbothioamide?
The canonical SMILES for N-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbothioamide is CCNC(=S)N1CCn2ccnc2C1.
What is the InChIKey of N-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbothioamide?
The InChIKey is CMSBPDJEPCNAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4S/c1-2-10-9(14)13-6-5-12-4-3-11-8(12)7-13/h3-4H,2,5-7H2,1H3,(H,10,14).
What are the key properties of N-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbothioamide?
N-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbothioamide has a molecular weight of 210.31 g/mol, XLogP of 0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbothioamide is sourced from PubChem (CID 116508456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).