4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-methylbenzenecarbothioamide

C14H16N4S — CID 55149598

IUPAC4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-methylbenzenecarbothioamide
SMILESCc1cc(C(N)=S)ccc1N1CCn2ccnc2C1
InChIInChI=1S/C14H16N4S/c1-10-8-11(14(15)19)2-3-12(10)18-7-6-17-5-4-16-13(17)9-18/h2-5,8H,6-7,9H2,1H3,(H2,15,19)
InChIKeySEXQHMVEYTZBIE-UHFFFAOYSA-N
MW272.38 g/mol
LogP1.85
Rot. Bonds2

About 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-methylbenzenecarbothioamide

4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-methylbenzenecarbothioamide (PubChem CID 55149598) has the molecular formula C14H16N4S and a molecular weight of 272.38 g/mol. Its IUPAC name is 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-methylbenzenecarbothioamide.

Molecular Properties

Compound Name4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-methylbenzenecarbothioamide
PubChem CID55149598
Molecular FormulaC14H16N4S
Molecular Weight272.38 g/mol
Exact Mass272.11
IUPAC Name4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-methylbenzenecarbothioamide
SMILESCc1cc(C(N)=S)ccc1N1CCn2ccnc2C1
InChIInChI=1S/C14H16N4S/c1-10-8-11(14(15)19)2-3-12(10)18-7-6-17-5-4-16-13(17)9-18/h2-5,8H,6-7,9H2,1H3,(H2,15,19)
InChIKeySEXQHMVEYTZBIE-UHFFFAOYSA-N
XLogP1.85
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 51.85
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 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-methylbenzenecarbothioamide?
The IUPAC name of 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-methylbenzenecarbothioamide (CID 55149598) is 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-methylbenzenecarbothioamide.
What is the SMILES notation for 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-methylbenzenecarbothioamide?
The canonical SMILES for 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-methylbenzenecarbothioamide is Cc1cc(C(N)=S)ccc1N1CCn2ccnc2C1.
What is the InChIKey of 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-methylbenzenecarbothioamide?
The InChIKey is SEXQHMVEYTZBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4S/c1-10-8-11(14(15)19)2-3-12(10)18-7-6-17-5-4-16-13(17)9-18/h2-5,8H,6-7,9H2,1H3,(H2,15,19).
What are the key properties of 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-methylbenzenecarbothioamide?
4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-methylbenzenecarbothioamide has a molecular weight of 272.38 g/mol, XLogP of 1.85, 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)-3-methylbenzenecarbothioamide is sourced from PubChem (CID 55149598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).