4-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-oxoethyl]benzenecarbothioamide

C15H16N4OS — CID 63612528

IUPAC4-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-oxoethyl]benzenecarbothioamide
SMILESNC(=S)c1ccc(CC(=O)N2CCn3ccnc3C2)cc1
InChIInChI=1S/C15H16N4OS/c16-15(21)12-3-1-11(2-4-12)9-14(20)19-8-7-18-6-5-17-13(18)10-19/h1-6H,7-10H2,(H2,16,21)
InChIKeyHFTDJJVQADBAPW-UHFFFAOYSA-N
MW300.39 g/mol
LogP1.10
Rot. Bonds3

About 4-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-oxoethyl]benzenecarbothioamide

4-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-oxoethyl]benzenecarbothioamide (PubChem CID 63612528) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is 4-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-oxoethyl]benzenecarbothioamide.

Molecular Properties

Compound Name4-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-oxoethyl]benzenecarbothioamide
PubChem CID63612528
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC Name4-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-oxoethyl]benzenecarbothioamide
SMILESNC(=S)c1ccc(CC(=O)N2CCn3ccnc3C2)cc1
InChIInChI=1S/C15H16N4OS/c16-15(21)12-3-1-11(2-4-12)9-14(20)19-8-7-18-6-5-17-13(18)10-19/h1-6H,7-10H2,(H2,16,21)
InChIKeyHFTDJJVQADBAPW-UHFFFAOYSA-N
XLogP1.10
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-oxoethyl]benzenecarbothioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[4-(tetrazol-1-yl)phenyl]ethanone
CID 136525663
2-(3-chlorophenyl)-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone
CID 110712676
4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)benzenecarbothioamide
CID 63024905
2-bromo-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone
CID 63680123
3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-oxopropanenitrile
CID 63025576
4-[2-(3,5-dioxopiperazin-1-yl)-2-oxoethyl]benzenecarbothioamide
CID 66083827
6-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)hexan-1-one
CID 63027109
4-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-oxoethyl]benzenecarbothioamide
CID 103356132
2-(4-aminocyclohexyl)-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone
CID 63020386
(2S)-2-amino-5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-oxopentanoic acid
CID 67356179
1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)cyclopentane-1-carbothioamide
CID 63025585
(3R)-3-amino-4-(3,4-difluorophenyl)-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-one;dihydrochloride
CID 131724362

Frequently Asked Questions

What is the IUPAC name of 4-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-oxoethyl]benzenecarbothioamide?
The IUPAC name of 4-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-oxoethyl]benzenecarbothioamide (CID 63612528) is 4-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-oxoethyl]benzenecarbothioamide.
What is the SMILES notation for 4-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-oxoethyl]benzenecarbothioamide?
The canonical SMILES for 4-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-oxoethyl]benzenecarbothioamide is NC(=S)c1ccc(CC(=O)N2CCn3ccnc3C2)cc1.
What is the InChIKey of 4-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-oxoethyl]benzenecarbothioamide?
The InChIKey is HFTDJJVQADBAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c16-15(21)12-3-1-11(2-4-12)9-14(20)19-8-7-18-6-5-17-13(18)10-19/h1-6H,7-10H2,(H2,16,21).
What are the key properties of 4-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-oxoethyl]benzenecarbothioamide?
4-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-oxoethyl]benzenecarbothioamide has a molecular weight of 300.39 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-oxoethyl]benzenecarbothioamide is sourced from PubChem (CID 63612528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).