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

C14H16N4OS — CID 81305584

IUPAC2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methoxybenzenecarbothioamide
SMILESCOc1ccc(C(N)=S)c(N2CCn3ccnc3C2)c1
InChIInChI=1S/C14H16N4OS/c1-19-10-2-3-11(14(15)20)12(8-10)18-7-6-17-5-4-16-13(17)9-18/h2-5,8H,6-7,9H2,1H3,(H2,15,20)
InChIKeyROTKVBBLTLNOEB-UHFFFAOYSA-N
MW288.38 g/mol
LogP1.55
Rot. Bonds3

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

2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methoxybenzenecarbothioamide (PubChem CID 81305584) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methoxybenzenecarbothioamide.

Molecular Properties

Compound Name2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methoxybenzenecarbothioamide
PubChem CID81305584
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Name2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methoxybenzenecarbothioamide
SMILESCOc1ccc(C(N)=S)c(N2CCn3ccnc3C2)c1
InChIInChI=1S/C14H16N4OS/c1-19-10-2-3-11(14(15)20)12(8-10)18-7-6-17-5-4-16-13(17)9-18/h2-5,8H,6-7,9H2,1H3,(H2,15,20)
InChIKeyROTKVBBLTLNOEB-UHFFFAOYSA-N
XLogP1.55
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76982046
4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)benzenecarbothioamide
CID 63024905
4-methoxy-2-(3-methoxypyrrolidin-1-yl)benzenecarbothioamide
CID 103533627
1-(2-carbamothioyl-5-methoxyphenyl)piperidine-4-carboxamide
CID 81306580
2-(3-ethylpiperidin-1-yl)-4-methoxybenzenecarbothioamide
CID 81305566
4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-fluoro-2-methoxyaniline
CID 107259216
4-amino-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)benzamide
CID 63356456
2-[1-(2-carbamothioyl-5-methoxyphenyl)piperidin-4-yl]acetamide
CID 81298280
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-5-methoxyphenol
CID 82980177
4-methoxy-2-(3,4,5-trimethylpyrazol-1-yl)benzenecarbothioamide
CID 81303476

Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methoxybenzenecarbothioamide?
The IUPAC name of 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methoxybenzenecarbothioamide (CID 81305584) is 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methoxybenzenecarbothioamide.
What is the SMILES notation for 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methoxybenzenecarbothioamide?
The canonical SMILES for 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methoxybenzenecarbothioamide is COc1ccc(C(N)=S)c(N2CCn3ccnc3C2)c1.
What is the InChIKey of 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methoxybenzenecarbothioamide?
The InChIKey is ROTKVBBLTLNOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-19-10-2-3-11(14(15)20)12(8-10)18-7-6-17-5-4-16-13(17)9-18/h2-5,8H,6-7,9H2,1H3,(H2,15,20).
What are the key properties of 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methoxybenzenecarbothioamide?
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methoxybenzenecarbothioamide has a molecular weight of 288.38 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methoxybenzenecarbothioamide is sourced from PubChem (CID 81305584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).