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

C13H14N4S — CID 63024905

IUPAC4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)benzenecarbothioamide
SMILESNC(=S)c1ccc(N2CCn3ccnc3C2)cc1
InChIInChI=1S/C13H14N4S/c14-13(18)10-1-3-11(4-2-10)17-8-7-16-6-5-15-12(16)9-17/h1-6H,7-9H2,(H2,14,18)
InChIKeyUKFICGMJKZVCPR-UHFFFAOYSA-N
MW258.35 g/mol
LogP1.54
Rot. Bonds2

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

4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)benzenecarbothioamide (PubChem CID 63024905) has the molecular formula C13H14N4S and a molecular weight of 258.35 g/mol. Its IUPAC name is 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)benzenecarbothioamide.

Molecular Properties

Compound Name4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)benzenecarbothioamide
PubChem CID63024905
Molecular FormulaC13H14N4S
Molecular Weight258.35 g/mol
Exact Mass258.09
IUPAC Name4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)benzenecarbothioamide
SMILESNC(=S)c1ccc(N2CCn3ccnc3C2)cc1
InChIInChI=1S/C13H14N4S/c14-13(18)10-1-3-11(4-2-10)17-8-7-16-6-5-15-12(16)9-17/h1-6H,7-9H2,(H2,14,18)
InChIKeyUKFICGMJKZVCPR-UHFFFAOYSA-N
XLogP1.54
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]ethanone
CID 63013626
4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-methylbenzenecarbothioamide
CID 55149598
3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pyridazine-4-carbothioamide
CID 80511478
4-amino-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)benzamide
CID 63356456
4-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-oxoethyl]benzenecarbothioamide
CID 63612528
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methoxybenzenecarbothioamide
CID 81305584
5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-dimethylpyrazole-4-carbothioamide
CID 63757247
(1S)-1-[5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-pyridinyl]ethanol
CID 83132492
N-[1-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]ethyl]propan-1-amine
CID 63015016
5-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)aniline
CID 63014980
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pyrimidin-4-amine
CID 116796891
4-morpholin-4-ylbenzenecarbothioamide
CID 2795360

Frequently Asked Questions

What is the IUPAC name of 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)benzenecarbothioamide?
The IUPAC name of 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)benzenecarbothioamide (CID 63024905) is 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)benzenecarbothioamide.
What is the SMILES notation for 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)benzenecarbothioamide?
The canonical SMILES for 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)benzenecarbothioamide is NC(=S)c1ccc(N2CCn3ccnc3C2)cc1.
What is the InChIKey of 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)benzenecarbothioamide?
The InChIKey is UKFICGMJKZVCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4S/c14-13(18)10-1-3-11(4-2-10)17-8-7-16-6-5-15-12(16)9-17/h1-6H,7-9H2,(H2,14,18).
What are the key properties of 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)benzenecarbothioamide?
4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)benzenecarbothioamide has a molecular weight of 258.35 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)benzenecarbothioamide is sourced from PubChem (CID 63024905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).