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

C13H16N6OS — CID 116665850

IUPAC[4-amino-2-(cyclopropylamino)-1,3-thiazol-5-yl]-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone
SMILESNc1nc(NC2CC2)sc1C(=O)N1CCn2ccnc2C1
InChIInChI=1S/C13H16N6OS/c14-11-10(21-13(17-11)16-8-1-2-8)12(20)19-6-5-18-4-3-15-9(18)7-19/h3-4,8H,1-2,5-7,14H2,(H,16,17)
InChIKeyDUERJLOJOFRUFD-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.15
Rot. Bonds3

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

[4-amino-2-(cyclopropylamino)-1,3-thiazol-5-yl]-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone (PubChem CID 116665850) has the molecular formula C13H16N6OS and a molecular weight of 304.38 g/mol. Its IUPAC name is [4-amino-2-(cyclopropylamino)-1,3-thiazol-5-yl]-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone.

Molecular Properties

Compound Name[4-amino-2-(cyclopropylamino)-1,3-thiazol-5-yl]-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone
PubChem CID116665850
Molecular FormulaC13H16N6OS
Molecular Weight304.38 g/mol
Exact Mass304.11
IUPAC Name[4-amino-2-(cyclopropylamino)-1,3-thiazol-5-yl]-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone
SMILESNc1nc(NC2CC2)sc1C(=O)N1CCn2ccnc2C1
InChIInChI=1S/C13H16N6OS/c14-11-10(21-13(17-11)16-8-1-2-8)12(20)19-6-5-18-4-3-15-9(18)7-19/h3-4,8H,1-2,5-7,14H2,(H,16,17)
InChIKeyDUERJLOJOFRUFD-UHFFFAOYSA-N
XLogP1.15
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(cyclopropylamino)-1,3-thiazol-5-yl]-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone?
The IUPAC name of [4-amino-2-(cyclopropylamino)-1,3-thiazol-5-yl]-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone (CID 116665850) is [4-amino-2-(cyclopropylamino)-1,3-thiazol-5-yl]-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone.
What is the SMILES notation for [4-amino-2-(cyclopropylamino)-1,3-thiazol-5-yl]-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone?
The canonical SMILES for [4-amino-2-(cyclopropylamino)-1,3-thiazol-5-yl]-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone is Nc1nc(NC2CC2)sc1C(=O)N1CCn2ccnc2C1.
What is the InChIKey of [4-amino-2-(cyclopropylamino)-1,3-thiazol-5-yl]-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone?
The InChIKey is DUERJLOJOFRUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6OS/c14-11-10(21-13(17-11)16-8-1-2-8)12(20)19-6-5-18-4-3-15-9(18)7-19/h3-4,8H,1-2,5-7,14H2,(H,16,17).
What are the key properties of [4-amino-2-(cyclopropylamino)-1,3-thiazol-5-yl]-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone?
[4-amino-2-(cyclopropylamino)-1,3-thiazol-5-yl]-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone has a molecular weight of 304.38 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(cyclopropylamino)-1,3-thiazol-5-yl]-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone is sourced from PubChem (CID 116665850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).