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

C12H17Cl2N3OS — CID 119904967

IUPAC(3R)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-amine;dihydrochloride
SMILESCl.Cl.N[C@@H]1CCN(Cc2csc(-c3ccco3)n2)C1
InChIInChI=1S/C12H15N3OS.2ClH/c13-9-3-4-15(6-9)7-10-8-17-12(14-10)11-2-1-5-16-11;;/h1-2,5,8-9H,3-4,6-7,13H2;2*1H/t9-;;/m1../s1
InChIKeyMUFFMNJRJQAIGU-KLQYNRQASA-N
MW322.26 g/mol
LogP2.78
Rot. Bonds3

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

(3R)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-amine;dihydrochloride (PubChem CID 119904967) has the molecular formula C12H17Cl2N3OS and a molecular weight of 322.26 g/mol. Its IUPAC name is (3R)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-amine;dihydrochloride.

Molecular Properties

Compound Name(3R)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-amine;dihydrochloride
PubChem CID119904967
Molecular FormulaC12H17Cl2N3OS
Molecular Weight322.26 g/mol
Exact Mass321.05
IUPAC Name(3R)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-amine;dihydrochloride
SMILESCl.Cl.N[C@@H]1CCN(Cc2csc(-c3ccco3)n2)C1
InChIInChI=1S/C12H15N3OS.2ClH/c13-9-3-4-15(6-9)7-10-8-17-12(14-10)11-2-1-5-16-11;;/h1-2,5,8-9H,3-4,6-7,13H2;2*1H/t9-;;/m1../s1
InChIKeyMUFFMNJRJQAIGU-KLQYNRQASA-N
XLogP2.78
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.26
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidin-3-amine;dihydrochloride
CID 119909924
(3S)-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-amine;hydrochloride
CID 119933963
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-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidin-3-ol
CID 32611074
2-(furan-2-yl)-4-[(4-methoxypiperidin-1-yl)methyl]-1,3-thiazole
CID 134033891
2-(furan-2-yl)-4-[(3-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,3-thiazole
CID 138001376
(3S,4R)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-4-phenylpyrrolidin-3-amine
CID 120761907
2-[1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]azetidin-3-yl]acetic acid
CID 64618291
1-(furan-2-ylmethyl)pyrrolidin-3-amine;dihydrochloride
CID 53422470
methyl 1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylate
CID 60714594
2-(furan-2-yl)-4-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 95341610

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-amine;dihydrochloride?
The IUPAC name of (3R)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-amine;dihydrochloride (CID 119904967) is (3R)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-amine;dihydrochloride.
What is the SMILES notation for (3R)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-amine;dihydrochloride?
The canonical SMILES for (3R)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-amine;dihydrochloride is Cl.Cl.N[C@@H]1CCN(Cc2csc(-c3ccco3)n2)C1.
What is the InChIKey of (3R)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-amine;dihydrochloride?
The InChIKey is MUFFMNJRJQAIGU-KLQYNRQASA-N. The full InChI is InChI=1S/C12H15N3OS.2ClH/c13-9-3-4-15(6-9)7-10-8-17-12(14-10)11-2-1-5-16-11;;/h1-2,5,8-9H,3-4,6-7,13H2;2*1H/t9-;;/m1../s1.
What are the key properties of (3R)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-amine;dihydrochloride?
(3R)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-amine;dihydrochloride has a molecular weight of 322.26 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-amine;dihydrochloride is sourced from PubChem (CID 119904967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).