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

C12H20N4S — CID 59144373

IUPACN-[(2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-yl)methyl]-1,3-thiazol-2-amine
SMILESCN1CCN2C(CNc3nccs3)CCC2C1
InChIInChI=1S/C12H20N4S/c1-15-5-6-16-10(2-3-11(16)9-15)8-14-12-13-4-7-17-12/h4,7,10-11H,2-3,5-6,8-9H2,1H3,(H,13,14)
InChIKeyIZVZMSCOMCLRGA-UHFFFAOYSA-N
MW252.39 g/mol
LogP1.33
Rot. Bonds3

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

N-[(2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 59144373) has the molecular formula C12H20N4S and a molecular weight of 252.39 g/mol. Its IUPAC name is N-[(2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-yl)methyl]-1,3-thiazol-2-amine
PubChem CID59144373
Molecular FormulaC12H20N4S
Molecular Weight252.39 g/mol
Exact Mass252.14
IUPAC NameN-[(2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-yl)methyl]-1,3-thiazol-2-amine
SMILESCN1CCN2C(CNc3nccs3)CCC2C1
InChIInChI=1S/C12H20N4S/c1-15-5-6-16-10(2-3-11(16)9-15)8-14-12-13-4-7-17-12/h4,7,10-11H,2-3,5-6,8-9H2,1H3,(H,13,14)
InChIKeyIZVZMSCOMCLRGA-UHFFFAOYSA-N
XLogP1.33
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-(2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl)-1,3-thiazol-2-amine
CID 72528039
N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-2-amine
CID 60701896
3-[(1,3-thiazol-2-ylamino)methyl]cyclobutan-1-ol
CID 66006565
N-(cyclohex-3-en-1-ylmethyl)-1,3-thiazol-2-amine
CID 78976841
N-[(3-chlorocyclopentyl)methyl]-1,3-thiazol-2-amine
CID 106123958
N-[[(3S)-pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine
CID 96996514
5-chloro-2-fluoro-4-[[4-(4-methylpiperazin-1-yl)cyclohexyl]methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 134477066
N-cyclopropyl-N'-(1,3-thiazol-2-yl)ethane-1,2-diamine
CID 62663409
N-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-amine
CID 60659943
N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 4711878
N-(2-cyclopropylpropyl)-1,3-thiazol-2-amine
CID 115591460
N-[(2,2-difluorocyclopentyl)methyl]-1,3-thiazol-2-amine
CID 131091806

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[(2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-yl)methyl]-1,3-thiazol-2-amine (CID 59144373) is N-[(2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[(2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-yl)methyl]-1,3-thiazol-2-amine is CN1CCN2C(CNc3nccs3)CCC2C1.
What is the InChIKey of N-[(2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is IZVZMSCOMCLRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S/c1-15-5-6-16-10(2-3-11(16)9-15)8-14-12-13-4-7-17-12/h4,7,10-11H,2-3,5-6,8-9H2,1H3,(H,13,14).
What are the key properties of N-[(2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-yl)methyl]-1,3-thiazol-2-amine?
N-[(2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 252.39 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 59144373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).