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

C13H19Cl2N3OS — CID 119909924

IUPAC1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidin-3-amine;dihydrochloride
SMILESCl.Cl.NC1CCCN(Cc2csc(-c3ccco3)n2)C1
InChIInChI=1S/C13H17N3OS.2ClH/c14-10-3-1-5-16(7-10)8-11-9-18-13(15-11)12-4-2-6-17-12;;/h2,4,6,9-10H,1,3,5,7-8,14H2;2*1H
InChIKeyMAQHSPRAPDUUSY-UHFFFAOYSA-N
MW336.29 g/mol
LogP3.17
Rot. Bonds3

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

1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidin-3-amine;dihydrochloride (PubChem CID 119909924) has the molecular formula C13H19Cl2N3OS and a molecular weight of 336.29 g/mol. Its IUPAC name is 1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidin-3-amine;dihydrochloride.

Molecular Properties

Compound Name1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidin-3-amine;dihydrochloride
PubChem CID119909924
Molecular FormulaC13H19Cl2N3OS
Molecular Weight336.29 g/mol
Exact Mass335.06
IUPAC Name1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidin-3-amine;dihydrochloride
SMILESCl.Cl.NC1CCCN(Cc2csc(-c3ccco3)n2)C1
InChIInChI=1S/C13H17N3OS.2ClH/c14-10-3-1-5-16(7-10)8-11-9-18-13(15-11)12-4-2-6-17-12;;/h2,4,6,9-10H,1,3,5,7-8,14H2;2*1H
InChIKeyMAQHSPRAPDUUSY-UHFFFAOYSA-N
XLogP3.17
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.29
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidin-3-amine;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-amine;dihydrochloride
CID 119904967
(3S)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidin-3-ol
CID 32611074
2-(furan-2-yl)-4-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 95341610
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]-3,3-dimethylpiperidin-4-amine
CID 120775782
(3S)-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-amine;hydrochloride
CID 119933963
1-[1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-yl]-N-methylmethanamine;dihydrochloride
CID 119928300
2-(furan-2-yl)-4-[(4-methoxypiperidin-1-yl)methyl]-1,3-thiazole
CID 134033891
(3S,4R)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-4-phenylpyrrolidin-3-amine
CID 120761907
2-(furan-2-yl)-4-[(3-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,3-thiazole
CID 138001376
2-[1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]azetidin-3-yl]acetic acid
CID 64618291
1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidine-2-carboxylic acid
CID 43442132

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidin-3-amine;dihydrochloride?
The IUPAC name of 1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidin-3-amine;dihydrochloride (CID 119909924) is 1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidin-3-amine;dihydrochloride.
What is the SMILES notation for 1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidin-3-amine;dihydrochloride?
The canonical SMILES for 1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidin-3-amine;dihydrochloride is Cl.Cl.NC1CCCN(Cc2csc(-c3ccco3)n2)C1.
What is the InChIKey of 1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidin-3-amine;dihydrochloride?
The InChIKey is MAQHSPRAPDUUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS.2ClH/c14-10-3-1-5-16(7-10)8-11-9-18-13(15-11)12-4-2-6-17-12;;/h2,4,6,9-10H,1,3,5,7-8,14H2;2*1H.
What are the key properties of 1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidin-3-amine;dihydrochloride?
1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidin-3-amine;dihydrochloride has a molecular weight of 336.29 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidin-3-amine;dihydrochloride is sourced from PubChem (CID 119909924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).