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

C13H20N4OS — CID 66390633

IUPAC3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[2-(2-aminoethyl)-1,3-thiazol-4-yl]methanone
SMILESNCCc1nc(C(=O)N2CCN3CCCC3C2)cs1
InChIInChI=1S/C13H20N4OS/c14-4-3-12-15-11(9-19-12)13(18)17-7-6-16-5-1-2-10(16)8-17/h9-10H,1-8,14H2
InChIKeyLAGRJNXUWIGNOB-UHFFFAOYSA-N
MW280.40 g/mol
LogP0.56
Rot. Bonds3

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

3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[2-(2-aminoethyl)-1,3-thiazol-4-yl]methanone (PubChem CID 66390633) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[2-(2-aminoethyl)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[2-(2-aminoethyl)-1,3-thiazol-4-yl]methanone
PubChem CID66390633
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC Name3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[2-(2-aminoethyl)-1,3-thiazol-4-yl]methanone
SMILESNCCc1nc(C(=O)N2CCN3CCCC3C2)cs1
InChIInChI=1S/C13H20N4OS/c14-4-3-12-15-11(9-19-12)13(18)17-7-6-16-5-1-2-10(16)8-17/h9-10H,1-8,14H2
InChIKeyLAGRJNXUWIGNOB-UHFFFAOYSA-N
XLogP0.56
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

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[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(3-methylpyrrolidin-1-yl)methanone;hydrochloride
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3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[2-(2-aminoethyl)-1,3-thiazol-4-yl]methanone;hydrochloride
CID 120633481
[1-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperidin-3-yl]methylurea
CID 66388331
2-[1-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]pyrrolidin-3-yl]acetic acid
CID 66390543
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 66389368
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-ethylazepan-1-yl)methanone
CID 66390147
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CID 120641312
1-[4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-2-cyclohexylethanone;hydrochloride
CID 120629970
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[3-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]methanone
CID 154872543
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(2,6-difluorobenzoyl)piperazin-1-yl]methanone
CID 120626679
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[2-(2-aminoethyl)-1,3-thiazol-4-yl]methanone?
The IUPAC name of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[2-(2-aminoethyl)-1,3-thiazol-4-yl]methanone (CID 66390633) is 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[2-(2-aminoethyl)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[2-(2-aminoethyl)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[2-(2-aminoethyl)-1,3-thiazol-4-yl]methanone is NCCc1nc(C(=O)N2CCN3CCCC3C2)cs1.
What is the InChIKey of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[2-(2-aminoethyl)-1,3-thiazol-4-yl]methanone?
The InChIKey is LAGRJNXUWIGNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c14-4-3-12-15-11(9-19-12)13(18)17-7-6-16-5-1-2-10(16)8-17/h9-10H,1-8,14H2.
What are the key properties of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[2-(2-aminoethyl)-1,3-thiazol-4-yl]methanone?
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[2-(2-aminoethyl)-1,3-thiazol-4-yl]methanone has a molecular weight of 280.40 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 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-[2-(2-aminoethyl)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 66390633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).