2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(1,3-thiazol-2-yl)acetamide

C12H18N4OS — CID 59570534

IUPAC2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(1,3-thiazol-2-yl)acetamide
SMILESNC(=O)C(c1nccs1)N1CCN2CCC[C@@H]2C1
InChIInChI=1S/C12H18N4OS/c13-11(17)10(12-14-3-7-18-12)16-6-5-15-4-1-2-9(15)8-16/h3,7,9-10H,1-2,4-6,8H2,(H2,13,17)/t9-,10?/m1/s1
InChIKeyJNPNDZIBZIHJOF-YHMJZVADSA-N
MW266.37 g/mol
LogP0.45
Rot. Bonds3

About 2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(1,3-thiazol-2-yl)acetamide

2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(1,3-thiazol-2-yl)acetamide (PubChem CID 59570534) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(1,3-thiazol-2-yl)acetamide
PubChem CID59570534
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(1,3-thiazol-2-yl)acetamide
SMILESNC(=O)C(c1nccs1)N1CCN2CCC[C@@H]2C1
InChIInChI=1S/C12H18N4OS/c13-11(17)10(12-14-3-7-18-12)16-6-5-15-4-1-2-9(15)8-16/h3,7,9-10H,1-2,4-6,8H2,(H2,13,17)/t9-,10?/m1/s1
InChIKeyJNPNDZIBZIHJOF-YHMJZVADSA-N
XLogP0.45
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(1,3-thiazol-2-yl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(1,3-thiazol-2-yl)acetamide (CID 59570534) is 2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(1,3-thiazol-2-yl)acetamide is NC(=O)C(c1nccs1)N1CCN2CCC[C@@H]2C1.
What is the InChIKey of 2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(1,3-thiazol-2-yl)acetamide?
The InChIKey is JNPNDZIBZIHJOF-YHMJZVADSA-N. The full InChI is InChI=1S/C12H18N4OS/c13-11(17)10(12-14-3-7-18-12)16-6-5-15-4-1-2-9(15)8-16/h3,7,9-10H,1-2,4-6,8H2,(H2,13,17)/t9-,10?/m1/s1.
What are the key properties of 2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(1,3-thiazol-2-yl)acetamide?
2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(1,3-thiazol-2-yl)acetamide has a molecular weight of 266.37 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 59570534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).