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

C18H26N4OS — CID 97422011

IUPAC2-[[(8R)-3-(cyclopentylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole
SMILESC[C@@H]1c2ncc(COCC3CCCC3)n2CCN1Cc1nccs1
InChIInChI=1S/C18H26N4OS/c1-14-18-20-10-16(13-23-12-15-4-2-3-5-15)22(18)8-7-21(14)11-17-19-6-9-24-17/h6,9-10,14-15H,2-5,7-8,11-13H2,1H3/t14-/m1/s1
InChIKeyAUTIOVXBLUIUPY-CQSZACIVSA-N
MW346.50 g/mol
LogP3.62
Rot. Bonds6

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

2-[[(8R)-3-(cyclopentylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole (PubChem CID 97422011) has the molecular formula C18H26N4OS and a molecular weight of 346.50 g/mol. Its IUPAC name is 2-[[(8R)-3-(cyclopentylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[(8R)-3-(cyclopentylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole
PubChem CID97422011
Molecular FormulaC18H26N4OS
Molecular Weight346.50 g/mol
Exact Mass346.18
IUPAC Name2-[[(8R)-3-(cyclopentylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole
SMILESC[C@@H]1c2ncc(COCC3CCCC3)n2CCN1Cc1nccs1
InChIInChI=1S/C18H26N4OS/c1-14-18-20-10-16(13-23-12-15-4-2-3-5-15)22(18)8-7-21(14)11-17-19-6-9-24-17/h6,9-10,14-15H,2-5,7-8,11-13H2,1H3/t14-/m1/s1
InChIKeyAUTIOVXBLUIUPY-CQSZACIVSA-N
XLogP3.62
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[(8R)-3-(cyclopentylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[(8R)-3-(cyclopentylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole (CID 97422011) is 2-[[(8R)-3-(cyclopentylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[(8R)-3-(cyclopentylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[(8R)-3-(cyclopentylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole is C[C@@H]1c2ncc(COCC3CCCC3)n2CCN1Cc1nccs1.
What is the InChIKey of 2-[[(8R)-3-(cyclopentylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole?
The InChIKey is AUTIOVXBLUIUPY-CQSZACIVSA-N. The full InChI is InChI=1S/C18H26N4OS/c1-14-18-20-10-16(13-23-12-15-4-2-3-5-15)22(18)8-7-21(14)11-17-19-6-9-24-17/h6,9-10,14-15H,2-5,7-8,11-13H2,1H3/t14-/m1/s1.
What are the key properties of 2-[[(8R)-3-(cyclopentylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole?
2-[[(8R)-3-(cyclopentylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole has a molecular weight of 346.50 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(8R)-3-(cyclopentylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 97422011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).