(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(1,3-thiazolidin-4-yl)methanone;dihydrochloride

C12H23Cl2N3OS — CID 119888302

IUPAC(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(1,3-thiazolidin-4-yl)methanone;dihydrochloride
SMILESCC1CN2CCCC2CN1C(=O)C1CSCN1.Cl.Cl
InChIInChI=1S/C12H21N3OS.2ClH/c1-9-5-14-4-2-3-10(14)6-15(9)12(16)11-7-17-8-13-11;;/h9-11,13H,2-8H2,1H3;2*1H
InChIKeySJNFAMZDMWNHRQ-UHFFFAOYSA-N
MW328.31 g/mol
LogP1.19
Rot. Bonds1

About (3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(1,3-thiazolidin-4-yl)methanone;dihydrochloride

(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(1,3-thiazolidin-4-yl)methanone;dihydrochloride (PubChem CID 119888302) has the molecular formula C12H23Cl2N3OS and a molecular weight of 328.31 g/mol. Its IUPAC name is (3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(1,3-thiazolidin-4-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(1,3-thiazolidin-4-yl)methanone;dihydrochloride
PubChem CID119888302
Molecular FormulaC12H23Cl2N3OS
Molecular Weight328.31 g/mol
Exact Mass327.09
IUPAC Name(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(1,3-thiazolidin-4-yl)methanone;dihydrochloride
SMILESCC1CN2CCCC2CN1C(=O)C1CSCN1.Cl.Cl
InChIInChI=1S/C12H21N3OS.2ClH/c1-9-5-14-4-2-3-10(14)6-15(9)12(16)11-7-17-8-13-11;;/h9-11,13H,2-8H2,1H3;2*1H
InChIKeySJNFAMZDMWNHRQ-UHFFFAOYSA-N
XLogP1.19
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.31
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(1,3-thiazolidin-4-yl)methanone;dihydrochloride with MolForge

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Related Compounds

(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-[(2R)-piperidin-2-yl]methanone
CID 113267598
(4-hydroxypyrrolidin-2-yl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone;dihydrochloride
CID 119888269
(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(5-methylpiperazin-2-yl)methanone
CID 79938706
(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-morpholin-3-ylmethanone
CID 79937946
2-amino-2-methyl-1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-one;dihydrochloride
CID 119888242
(2,3-dimethylpyrrolidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride
CID 119343810
(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-pyrrolidin-3-ylmethanone
CID 79937868
2,2,2-trifluoro-1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone
CID 78960092
(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-[(3S)-piperidin-3-yl]methanone
CID 81134574
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 102893352
(2R)-1-(1,3-thiazolidine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 78923109
1-(1,3-thiazolidine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 61158601

Frequently Asked Questions

What is the IUPAC name of (3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(1,3-thiazolidin-4-yl)methanone;dihydrochloride?
The IUPAC name of (3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(1,3-thiazolidin-4-yl)methanone;dihydrochloride (CID 119888302) is (3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(1,3-thiazolidin-4-yl)methanone;dihydrochloride.
What is the SMILES notation for (3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(1,3-thiazolidin-4-yl)methanone;dihydrochloride?
The canonical SMILES for (3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(1,3-thiazolidin-4-yl)methanone;dihydrochloride is CC1CN2CCCC2CN1C(=O)C1CSCN1.Cl.Cl.
What is the InChIKey of (3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(1,3-thiazolidin-4-yl)methanone;dihydrochloride?
The InChIKey is SJNFAMZDMWNHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS.2ClH/c1-9-5-14-4-2-3-10(14)6-15(9)12(16)11-7-17-8-13-11;;/h9-11,13H,2-8H2,1H3;2*1H.
What are the key properties of (3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(1,3-thiazolidin-4-yl)methanone;dihydrochloride?
(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(1,3-thiazolidin-4-yl)methanone;dihydrochloride has a molecular weight of 328.31 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(1,3-thiazolidin-4-yl)methanone;dihydrochloride is sourced from PubChem (CID 119888302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).