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

C11H18N4S — CID 72528039

IUPACN-(2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl)-1,3-thiazol-2-amine
SMILESCN1CCN2CC(Nc3nccs3)CC2C1
InChIInChI=1S/C11H18N4S/c1-14-3-4-15-7-9(6-10(15)8-14)13-11-12-2-5-16-11/h2,5,9-10H,3-4,6-8H2,1H3,(H,12,13)
InChIKeyPGLWURNYKAVPBH-UHFFFAOYSA-N
MW238.36 g/mol
LogP0.94
Rot. Bonds2

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

N-(2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl)-1,3-thiazol-2-amine (PubChem CID 72528039) has the molecular formula C11H18N4S and a molecular weight of 238.36 g/mol. Its IUPAC name is N-(2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl)-1,3-thiazol-2-amine
PubChem CID72528039
Molecular FormulaC11H18N4S
Molecular Weight238.36 g/mol
Exact Mass238.13
IUPAC NameN-(2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl)-1,3-thiazol-2-amine
SMILESCN1CCN2CC(Nc3nccs3)CC2C1
InChIInChI=1S/C11H18N4S/c1-14-3-4-15-7-9(6-10(15)8-14)13-11-12-2-5-16-11/h2,5,9-10H,3-4,6-8H2,1H3,(H,12,13)
InChIKeyPGLWURNYKAVPBH-UHFFFAOYSA-N
XLogP0.94
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl)-1,3-thiazol-2-amine (CID 72528039) is N-(2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl)-1,3-thiazol-2-amine is CN1CCN2CC(Nc3nccs3)CC2C1.
What is the InChIKey of N-(2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl)-1,3-thiazol-2-amine?
The InChIKey is PGLWURNYKAVPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4S/c1-14-3-4-15-7-9(6-10(15)8-14)13-11-12-2-5-16-11/h2,5,9-10H,3-4,6-8H2,1H3,(H,12,13).
What are the key properties of N-(2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl)-1,3-thiazol-2-amine?
N-(2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl)-1,3-thiazol-2-amine has a molecular weight of 238.36 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 72528039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).