1-[1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-yl]-N-methylmethanamine;dihydrochloride

C14H21Cl2N3OS — CID 119928300

IUPAC1-[1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-yl]-N-methylmethanamine;dihydrochloride
SMILESCNCC1CCCN1Cc1csc(-c2ccco2)n1.Cl.Cl
InChIInChI=1S/C14H19N3OS.2ClH/c1-15-8-12-4-2-6-17(12)9-11-10-19-14(16-11)13-5-3-7-18-13;;/h3,5,7,10,12,15H,2,4,6,8-9H2,1H3;2*1H
InChIKeyLFSQANMKNHXOCT-UHFFFAOYSA-N
MW350.32 g/mol
LogP3.43
Rot. Bonds5

About 1-[1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-yl]-N-methylmethanamine;dihydrochloride

1-[1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-yl]-N-methylmethanamine;dihydrochloride (PubChem CID 119928300) has the molecular formula C14H21Cl2N3OS and a molecular weight of 350.32 g/mol. Its IUPAC name is 1-[1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-yl]-N-methylmethanamine;dihydrochloride.

Molecular Properties

Compound Name1-[1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-yl]-N-methylmethanamine;dihydrochloride
PubChem CID119928300
Molecular FormulaC14H21Cl2N3OS
Molecular Weight350.32 g/mol
Exact Mass349.08
IUPAC Name1-[1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-yl]-N-methylmethanamine;dihydrochloride
SMILESCNCC1CCCN1Cc1csc(-c2ccco2)n1.Cl.Cl
InChIInChI=1S/C14H19N3OS.2ClH/c1-15-8-12-4-2-6-17(12)9-11-10-19-14(16-11)13-5-3-7-18-13;;/h3,5,7,10,12,15H,2,4,6,8-9H2,1H3;2*1H
InChIKeyLFSQANMKNHXOCT-UHFFFAOYSA-N
XLogP3.43
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.32
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 81490396
1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidine-2-carboxylic acid
CID 43442132
2-(furan-2-yl)-4-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 95611716
1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidin-3-amine;dihydrochloride
CID 119909924
(3S)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidin-3-ol
CID 32611074
2-(furan-2-yl)-4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole
CID 134033819
1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79371085
N-[4-[[2-(methylaminomethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 81490722
2-(furan-2-yl)-4-[(4-methoxypiperidin-1-yl)methyl]-1,3-thiazole
CID 134033891
N-methyl-1-[1-[(4-propyl-1,3-thiazol-2-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 120842796
(3R)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-amine;dihydrochloride
CID 119904967
1-cyclopropyl-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine
CID 115593190

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-yl]-N-methylmethanamine;dihydrochloride?
The IUPAC name of 1-[1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-yl]-N-methylmethanamine;dihydrochloride (CID 119928300) is 1-[1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-yl]-N-methylmethanamine;dihydrochloride.
What is the SMILES notation for 1-[1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-yl]-N-methylmethanamine;dihydrochloride?
The canonical SMILES for 1-[1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-yl]-N-methylmethanamine;dihydrochloride is CNCC1CCCN1Cc1csc(-c2ccco2)n1.Cl.Cl.
What is the InChIKey of 1-[1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-yl]-N-methylmethanamine;dihydrochloride?
The InChIKey is LFSQANMKNHXOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS.2ClH/c1-15-8-12-4-2-6-17(12)9-11-10-19-14(16-11)13-5-3-7-18-13;;/h3,5,7,10,12,15H,2,4,6,8-9H2,1H3;2*1H.
What are the key properties of 1-[1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-yl]-N-methylmethanamine;dihydrochloride?
1-[1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-yl]-N-methylmethanamine;dihydrochloride has a molecular weight of 350.32 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-yl]-N-methylmethanamine;dihydrochloride is sourced from PubChem (CID 119928300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).