[1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;dihydrochloride

C12H23Cl2N3OS — CID 120771298

IUPAC[1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;dihydrochloride
SMILESCOCc1nc(CN2CCC(C)(CN)C2)cs1.Cl.Cl
InChIInChI=1S/C12H21N3OS.2ClH/c1-12(8-13)3-4-15(9-12)5-10-7-17-11(14-10)6-16-2;;/h7H,3-6,8-9,13H2,1-2H3;2*1H
InChIKeyTWRGGVURWIKZBB-UHFFFAOYSA-N
MW328.31 g/mol
LogP2.30
Rot. Bonds5

About [1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;dihydrochloride

[1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;dihydrochloride (PubChem CID 120771298) has the molecular formula C12H23Cl2N3OS and a molecular weight of 328.31 g/mol. Its IUPAC name is [1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;dihydrochloride.

Molecular Properties

Compound Name[1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;dihydrochloride
PubChem CID120771298
Molecular FormulaC12H23Cl2N3OS
Molecular Weight328.31 g/mol
Exact Mass327.09
IUPAC Name[1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;dihydrochloride
SMILESCOCc1nc(CN2CCC(C)(CN)C2)cs1.Cl.Cl
InChIInChI=1S/C12H21N3OS.2ClH/c1-12(8-13)3-4-15(9-12)5-10-7-17-11(14-10)6-16-2;;/h7H,3-6,8-9,13H2,1-2H3;2*1H
InChIKeyTWRGGVURWIKZBB-UHFFFAOYSA-N
XLogP2.30
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120780484
[1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;dihydrochloride
CID 120773064
[4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methanamine
CID 55157940
[1-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120780551
[1-[[2-(2,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120771371
2-[4-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 120771636
[1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]methanamine
CID 167935793
[3-methyl-1-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120780374
[1-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120781006
[1-[(3-chlorothiophen-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120846944
[3-methyl-1-[[2-(3-nitrophenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120781008
N-cyclopropyl-4-[[(3S)-3-(methoxymethyl)-3-methylpyrrolidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine
CID 164634573

Frequently Asked Questions

What is the IUPAC name of [1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;dihydrochloride?
The IUPAC name of [1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;dihydrochloride (CID 120771298) is [1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;dihydrochloride.
What is the SMILES notation for [1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;dihydrochloride?
The canonical SMILES for [1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;dihydrochloride is COCc1nc(CN2CCC(C)(CN)C2)cs1.Cl.Cl.
What is the InChIKey of [1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;dihydrochloride?
The InChIKey is TWRGGVURWIKZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS.2ClH/c1-12(8-13)3-4-15(9-12)5-10-7-17-11(14-10)6-16-2;;/h7H,3-6,8-9,13H2,1-2H3;2*1H.
What are the key properties of [1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;dihydrochloride?
[1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;dihydrochloride has a molecular weight of 328.31 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;dihydrochloride is sourced from PubChem (CID 120771298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).