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

C14H21Cl2N3OS — CID 120773064

IUPAC[1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;dihydrochloride
SMILESCC1(CN)CCN(Cc2csc(-c3ccoc3)n2)C1.Cl.Cl
InChIInChI=1S/C14H19N3OS.2ClH/c1-14(9-15)3-4-17(10-14)6-12-8-19-13(16-12)11-2-5-18-7-11;;/h2,5,7-8H,3-4,6,9-10,15H2,1H3;2*1H
InChIKeyDVGVVYWYJRMUJW-UHFFFAOYSA-N
MW350.32 g/mol
LogP3.42
Rot. Bonds4

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

[1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;dihydrochloride (PubChem CID 120773064) has the molecular formula C14H21Cl2N3OS and a molecular weight of 350.32 g/mol. Its IUPAC name is [1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;dihydrochloride.

Molecular Properties

Compound Name[1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;dihydrochloride
PubChem CID120773064
Molecular FormulaC14H21Cl2N3OS
Molecular Weight350.32 g/mol
Exact Mass349.08
IUPAC Name[1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;dihydrochloride
SMILESCC1(CN)CCN(Cc2csc(-c3ccoc3)n2)C1.Cl.Cl
InChIInChI=1S/C14H19N3OS.2ClH/c1-14(9-15)3-4-17(10-14)6-12-8-19-13(16-12)11-2-5-18-7-11;;/h2,5,7-8H,3-4,6,9-10,15H2,1H3;2*1H
InChIKeyDVGVVYWYJRMUJW-UHFFFAOYSA-N
XLogP3.42
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.32
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120780551
[1-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120781006
[3-methyl-1-[[2-(3-nitrophenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120781008
[1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;dihydrochloride
CID 120771298
[1-[[2-(2,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120771371
[3-methyl-1-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanamine
CID 120967303
[1-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120780484
[1-[[2-(4-bromophenyl)-1,3-oxazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120773467
[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanamine
CID 120773260
4-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-N,N-dimethylpyrimidin-2-amine
CID 120780589
[1-[(3-chlorothiophen-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120846944
2-[4-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 120771636

Frequently Asked Questions

What is the IUPAC name of [1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;dihydrochloride?
The IUPAC name of [1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;dihydrochloride (CID 120773064) is [1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;dihydrochloride.
What is the SMILES notation for [1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;dihydrochloride?
The canonical SMILES for [1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;dihydrochloride is CC1(CN)CCN(Cc2csc(-c3ccoc3)n2)C1.Cl.Cl.
What is the InChIKey of [1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;dihydrochloride?
The InChIKey is DVGVVYWYJRMUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS.2ClH/c1-14(9-15)3-4-17(10-14)6-12-8-19-13(16-12)11-2-5-18-7-11;;/h2,5,7-8H,3-4,6,9-10,15H2,1H3;2*1H.
What are the key properties of [1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;dihydrochloride?
[1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;dihydrochloride has a molecular weight of 350.32 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;dihydrochloride is sourced from PubChem (CID 120773064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).