1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-3,3-dimethylpiperidin-4-amine

C15H21N3OS — CID 120775782

IUPAC1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-3,3-dimethylpiperidin-4-amine
SMILESCC1(C)CN(Cc2csc(-c3ccco3)n2)CCC1N
InChIInChI=1S/C15H21N3OS/c1-15(2)10-18(6-5-13(15)16)8-11-9-20-14(17-11)12-4-3-7-19-12/h3-4,7,9,13H,5-6,8,10,16H2,1-2H3
InChIKeyCIASYUQAGGPCPK-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.96
Rot. Bonds3

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

1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-3,3-dimethylpiperidin-4-amine (PubChem CID 120775782) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-3,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-3,3-dimethylpiperidin-4-amine
PubChem CID120775782
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-3,3-dimethylpiperidin-4-amine
SMILESCC1(C)CN(Cc2csc(-c3ccco3)n2)CCC1N
InChIInChI=1S/C15H21N3OS/c1-15(2)10-18(6-5-13(15)16)8-11-9-20-14(17-11)12-4-3-7-19-12/h3-4,7,9,13H,5-6,8,10,16H2,1-2H3
InChIKeyCIASYUQAGGPCPK-UHFFFAOYSA-N
XLogP2.96
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(furan-2-yl)-4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole
CID 134033819
(3R)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-amine;dihydrochloride
CID 119904967
2-(furan-2-yl)-4-[(4-methoxypiperidin-1-yl)methyl]-1,3-thiazole
CID 134033891
3,3-dimethyl-1-[[2-(3-nitrophenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-amine
CID 120782034
1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidin-3-amine;dihydrochloride
CID 119909924
1-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120782314
methyl 1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylate
CID 60714594
(3S)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidin-3-ol
CID 32611074
3-[[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 134033856
3,3-dimethyl-1-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]piperidin-4-amine
CID 120781546
3,3-dimethyl-1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-amine;hydrochloride
CID 120967325
(3S,4R)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-4-phenylpyrrolidin-3-amine
CID 120761907

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-3,3-dimethylpiperidin-4-amine?
The IUPAC name of 1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-3,3-dimethylpiperidin-4-amine (CID 120775782) is 1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-3,3-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-3,3-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-3,3-dimethylpiperidin-4-amine is CC1(C)CN(Cc2csc(-c3ccco3)n2)CCC1N.
What is the InChIKey of 1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-3,3-dimethylpiperidin-4-amine?
The InChIKey is CIASYUQAGGPCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-15(2)10-18(6-5-13(15)16)8-11-9-20-14(17-11)12-4-3-7-19-12/h3-4,7,9,13H,5-6,8,10,16H2,1-2H3.
What are the key properties of 1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-3,3-dimethylpiperidin-4-amine?
1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-3,3-dimethylpiperidin-4-amine has a molecular weight of 291.42 g/mol, XLogP of 2.96, 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]-3,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 120775782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).