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

C11H11ClN4O2S — CID 63024857

IUPACmethyl 4-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(N2CCn3ccnc3C2)nc1Cl
InChIInChI=1S/C11H11ClN4O2S/c1-18-10(17)8-9(12)14-11(19-8)16-5-4-15-3-2-13-7(15)6-16/h2-3H,4-6H2,1H3
InChIKeyTXBVFZCBHIZOMC-UHFFFAOYSA-N
MW298.76 g/mol
LogP1.80
Rot. Bonds2

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

methyl 4-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazole-5-carboxylate (PubChem CID 63024857) has the molecular formula C11H11ClN4O2S and a molecular weight of 298.76 g/mol. Its IUPAC name is methyl 4-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazole-5-carboxylate
PubChem CID63024857
Molecular FormulaC11H11ClN4O2S
Molecular Weight298.76 g/mol
Exact Mass298.03
IUPAC Namemethyl 4-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(N2CCn3ccnc3C2)nc1Cl
InChIInChI=1S/C11H11ClN4O2S/c1-18-10(17)8-9(12)14-11(19-8)16-5-4-15-3-2-13-7(15)6-16/h2-3H,4-6H2,1H3
InChIKeyTXBVFZCBHIZOMC-UHFFFAOYSA-N
XLogP1.80
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.76
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 4-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazole-5-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazole-5-carboxylate (CID 63024857) is methyl 4-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazole-5-carboxylate is COC(=O)c1sc(N2CCn3ccnc3C2)nc1Cl.
What is the InChIKey of methyl 4-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazole-5-carboxylate?
The InChIKey is TXBVFZCBHIZOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O2S/c1-18-10(17)8-9(12)14-11(19-8)16-5-4-15-3-2-13-7(15)6-16/h2-3H,4-6H2,1H3.
What are the key properties of methyl 4-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazole-5-carboxylate?
methyl 4-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazole-5-carboxylate has a molecular weight of 298.76 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 63024857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).