5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-propan-2-yloxy-1,2-thiazol-3-amine

C14H24N4OS — CID 103364368

IUPAC5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-propan-2-yloxy-1,2-thiazol-3-amine
SMILESCC(C)Oc1c(N)nsc1N1CC2CCCN2CC1C
InChIInChI=1S/C14H24N4OS/c1-9(2)19-12-13(15)16-20-14(12)18-8-11-5-4-6-17(11)7-10(18)3/h9-11H,4-8H2,1-3H3,(H2,15,16)
InChIKeyDSIKHAGBSKHFFG-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.19
Rot. Bonds3

About 5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-propan-2-yloxy-1,2-thiazol-3-amine

5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-propan-2-yloxy-1,2-thiazol-3-amine (PubChem CID 103364368) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is 5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-propan-2-yloxy-1,2-thiazol-3-amine.

Molecular Properties

Compound Name5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-propan-2-yloxy-1,2-thiazol-3-amine
PubChem CID103364368
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-propan-2-yloxy-1,2-thiazol-3-amine
SMILESCC(C)Oc1c(N)nsc1N1CC2CCCN2CC1C
InChIInChI=1S/C14H24N4OS/c1-9(2)19-12-13(15)16-20-14(12)18-8-11-5-4-6-17(11)7-10(18)3/h9-11H,4-8H2,1-3H3,(H2,15,16)
InChIKeyDSIKHAGBSKHFFG-UHFFFAOYSA-N
XLogP2.19
TPSA54.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-propan-2-yloxy-1,2-thiazol-3-amine with MolForge

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Related Compounds

4-methoxy-5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,2-thiazol-3-amine
CID 103383271
5-(3-piperidin-1-ylpyrrolidin-1-yl)-4-propan-2-yloxy-1,2-thiazol-3-amine
CID 103362856
1-(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)piperidin-3-ol
CID 103361617
1-(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)-3-methylpiperidin-4-ol
CID 103365502
1-(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)piperidine-4-carboxamide
CID 103362018
4-propan-2-yloxy-5-(4-propylazepan-1-yl)-1,2-thiazol-3-amine
CID 103363125
5-[(3R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-1,3,4-thiadiazol-2-amine
CID 154565619
5-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103360156
4-methoxy-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,2-thiazol-3-amine
CID 103381799
5-N-(1-methylpiperidin-3-yl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103359426
6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80959998
5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-amino-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103383282

Frequently Asked Questions

What is the IUPAC name of 5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-propan-2-yloxy-1,2-thiazol-3-amine?
The IUPAC name of 5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-propan-2-yloxy-1,2-thiazol-3-amine (CID 103364368) is 5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-propan-2-yloxy-1,2-thiazol-3-amine.
What is the SMILES notation for 5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-propan-2-yloxy-1,2-thiazol-3-amine?
The canonical SMILES for 5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-propan-2-yloxy-1,2-thiazol-3-amine is CC(C)Oc1c(N)nsc1N1CC2CCCN2CC1C.
What is the InChIKey of 5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-propan-2-yloxy-1,2-thiazol-3-amine?
The InChIKey is DSIKHAGBSKHFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-9(2)19-12-13(15)16-20-14(12)18-8-11-5-4-6-17(11)7-10(18)3/h9-11H,4-8H2,1-3H3,(H2,15,16).
What are the key properties of 5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-propan-2-yloxy-1,2-thiazol-3-amine?
5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-propan-2-yloxy-1,2-thiazol-3-amine has a molecular weight of 296.44 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-propan-2-yloxy-1,2-thiazol-3-amine is sourced from PubChem (CID 103364368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).