4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-3H-1,3-thiazol-2-one

C11H17N3OS — CID 106383629

IUPAC4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CN2CCN3CCCC3C2)cs1
InChIInChI=1S/C11H17N3OS/c15-11-12-9(8-16-11)6-13-4-5-14-3-1-2-10(14)7-13/h8,10H,1-7H2,(H,12,15)
InChIKeyXPHHOZWMEYQJGJ-UHFFFAOYSA-N
MW239.34 g/mol
LogP0.72
Rot. Bonds2

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

4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-3H-1,3-thiazol-2-one (PubChem CID 106383629) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-3H-1,3-thiazol-2-one
PubChem CID106383629
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CN2CCN3CCCC3C2)cs1
InChIInChI=1S/C11H17N3OS/c15-11-12-9(8-16-11)6-13-4-5-14-3-1-2-10(14)7-13/h8,10H,1-7H2,(H,12,15)
InChIKeyXPHHOZWMEYQJGJ-UHFFFAOYSA-N
XLogP0.72
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

4-[[3-(methylamino)piperidin-1-yl]methyl]-3H-1,3-thiazol-2-one
CID 106383562
(E)-3-[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)thiophen-3-yl]prop-2-enoic acid
CID 79942972
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-4-(chloromethyl)-1,3-thiazole
CID 79943426
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)-6-fluoro-1H-quinolin-4-one
CID 156604880
2-(pyridin-4-ylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79006299
2-[(5-methylthiophen-2-yl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79938951
6-methyl-2-[[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methyl]-1H-quinolin-4-one
CID 97137726
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)thiophene-2-carboxylic acid
CID 79935757
(9aS)-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 56704167
2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)phenyl]acetic acid
CID 105346116
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-5-chlorothiadiazole
CID 112734077
(8aS)-2-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 124755288

Frequently Asked Questions

What is the IUPAC name of 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-3H-1,3-thiazol-2-one?
The IUPAC name of 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-3H-1,3-thiazol-2-one (CID 106383629) is 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-3H-1,3-thiazol-2-one is O=c1[nH]c(CN2CCN3CCCC3C2)cs1.
What is the InChIKey of 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-3H-1,3-thiazol-2-one?
The InChIKey is XPHHOZWMEYQJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c15-11-12-9(8-16-11)6-13-4-5-14-3-1-2-10(14)7-13/h8,10H,1-7H2,(H,12,15).
What are the key properties of 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-3H-1,3-thiazol-2-one?
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-3H-1,3-thiazol-2-one has a molecular weight of 239.34 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106383629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).