3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]methanone

C13H21N5OS — CID 116671227

IUPAC3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]methanone
SMILESCCNc1nc(N)c(C(=O)N2CCN3CCCC3C2)s1
InChIInChI=1S/C13H21N5OS/c1-2-15-13-16-11(14)10(20-13)12(19)18-7-6-17-5-3-4-9(17)8-18/h9H,2-8,14H2,1H3,(H,15,16)
InChIKeyFFSFIFZDUPWLAN-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.08
Rot. Bonds3

About 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]methanone

3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]methanone (PubChem CID 116671227) has the molecular formula C13H21N5OS and a molecular weight of 295.41 g/mol. Its IUPAC name is 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]methanone
PubChem CID116671227
Molecular FormulaC13H21N5OS
Molecular Weight295.41 g/mol
Exact Mass295.15
IUPAC Name3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]methanone
SMILESCCNc1nc(N)c(C(=O)N2CCN3CCCC3C2)s1
InChIInChI=1S/C13H21N5OS/c1-2-15-13-16-11(14)10(20-13)12(19)18-7-6-17-5-3-4-9(17)8-18/h9H,2-8,14H2,1H3,(H,15,16)
InChIKeyFFSFIFZDUPWLAN-UHFFFAOYSA-N
XLogP1.08
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]methanone with MolForge

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Related Compounds

[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 116671004
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]methanone
CID 116671231
[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103504889
[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 114802978
1-[4-amino-2-(ethylamino)-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide
CID 116668333
[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-[4-(dimethylamino)piperidin-1-yl]methanone
CID 116670409
[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(1,4-diazepan-1-yl)methanone
CID 116662886
4-amino-2-(ethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 116668738
[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(3-hydroxypiperidin-1-yl)methanone
CID 116663334
[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 116667814
[4-amino-2-(cyclobutylamino)-1,3-thiazol-5-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 116670425
4-amino-N-(cyclobutylmethyl)-2-(ethylamino)-N-methyl-1,3-thiazole-5-carboxamide
CID 116665637

Frequently Asked Questions

What is the IUPAC name of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]methanone?
The IUPAC name of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]methanone (CID 116671227) is 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]methanone is CCNc1nc(N)c(C(=O)N2CCN3CCCC3C2)s1.
What is the InChIKey of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]methanone?
The InChIKey is FFSFIFZDUPWLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5OS/c1-2-15-13-16-11(14)10(20-13)12(19)18-7-6-17-5-3-4-9(17)8-18/h9H,2-8,14H2,1H3,(H,15,16).
What are the key properties of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]methanone?
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]methanone has a molecular weight of 295.41 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 116671227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).