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

C16H22N6OS — CID 97392161

IUPAC[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1,3-thiazol-4-yl)methanone
SMILESCN1CCN(Cc2cnc3n2CCN(C(=O)c2cscn2)C3)CC1
InChIInChI=1S/C16H22N6OS/c1-19-2-4-20(5-3-19)9-13-8-17-15-10-21(6-7-22(13)15)16(23)14-11-24-12-18-14/h8,11-12H,2-7,9-10H2,1H3
InChIKeyATASMZFTKLCJPQ-UHFFFAOYSA-N
MW346.46 g/mol
LogP0.74
Rot. Bonds3

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

[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 97392161) has the molecular formula C16H22N6OS and a molecular weight of 346.46 g/mol. Its IUPAC name is [3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID97392161
Molecular FormulaC16H22N6OS
Molecular Weight346.46 g/mol
Exact Mass346.16
IUPAC Name[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1,3-thiazol-4-yl)methanone
SMILESCN1CCN(Cc2cnc3n2CCN(C(=O)c2cscn2)C3)CC1
InChIInChI=1S/C16H22N6OS/c1-19-2-4-20(5-3-19)9-13-8-17-15-10-21(6-7-22(13)15)16(23)14-11-24-12-18-14/h8,11-12H,2-7,9-10H2,1H3
InChIKeyATASMZFTKLCJPQ-UHFFFAOYSA-N
XLogP0.74
TPSA57.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1,3-thiazol-4-yl)methanone (CID 97392161) is [3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1,3-thiazol-4-yl)methanone is CN1CCN(Cc2cnc3n2CCN(C(=O)c2cscn2)C3)CC1.
What is the InChIKey of [3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is ATASMZFTKLCJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6OS/c1-19-2-4-20(5-3-19)9-13-8-17-15-10-21(6-7-22(13)15)16(23)14-11-24-12-18-14/h8,11-12H,2-7,9-10H2,1H3.
What are the key properties of [3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1,3-thiazol-4-yl)methanone?
[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 346.46 g/mol, XLogP of 0.74, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 97392161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).