1-benzyl-N-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]piperidin-4-amine

C21H25N3OS — CID 53273477

IUPAC1-benzyl-N-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]piperidin-4-amine
SMILESCc1ccc(-c2cnc(CNC3CCN(Cc4ccccc4)CC3)s2)o1
InChIInChI=1S/C21H25N3OS/c1-16-7-8-19(25-16)20-13-23-21(26-20)14-22-18-9-11-24(12-10-18)15-17-5-3-2-4-6-17/h2-8,13,18,22H,9-12,14-15H2,1H3
InChIKeyWNLZHWXCKITSCB-UHFFFAOYSA-N
MW367.52 g/mol
LogP4.47
Rot. Bonds6

About 1-benzyl-N-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]piperidin-4-amine

1-benzyl-N-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]piperidin-4-amine (PubChem CID 53273477) has the molecular formula C21H25N3OS and a molecular weight of 367.52 g/mol. Its IUPAC name is 1-benzyl-N-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-benzyl-N-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]piperidin-4-amine
PubChem CID53273477
Molecular FormulaC21H25N3OS
Molecular Weight367.52 g/mol
Exact Mass367.17
IUPAC Name1-benzyl-N-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]piperidin-4-amine
SMILESCc1ccc(-c2cnc(CNC3CCN(Cc4ccccc4)CC3)s2)o1
InChIInChI=1S/C21H25N3OS/c1-16-7-8-19(25-16)20-13-23-21(26-20)14-22-18-9-11-24(12-10-18)15-17-5-3-2-4-6-17/h2-8,13,18,22H,9-12,14-15H2,1H3
InChIKeyWNLZHWXCKITSCB-UHFFFAOYSA-N
XLogP4.47
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-benzyl-N-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]piperidin-4-amine with MolForge

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Related Compounds

1-benzyl-N-[(5-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
CID 53272644
1-benzyl-N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-4-amine
CID 53271614
1-benzyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine
CID 60982783
1-benzyl-N-[(5-chlorothiophen-2-yl)methyl]piperidin-4-amine
CID 29275585
1-benzyl-N-(thiophen-2-ylmethyl)piperidin-4-amine
CID 4846950
1-benzyl-N-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-amine
CID 61285826
1-benzyl-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine
CID 68673729
1-benzyl-N-[[5-(4-bromophenyl)furan-2-yl]methyl]piperidin-4-amine
CID 17159324
1-benzyl-N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]piperidin-4-amine
CID 17159428
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
1-benzyl-N-[(4-phenylphenyl)methyl]azepan-4-amine;ethane
CID 142128621
N-[2-(1-benzylpyrrolidin-3-yl)ethyl]-5-(5-methylfuran-2-yl)-1,2,4-triazin-3-amine
CID 45228205

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]piperidin-4-amine?
The IUPAC name of 1-benzyl-N-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]piperidin-4-amine (CID 53273477) is 1-benzyl-N-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-benzyl-N-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]piperidin-4-amine?
The canonical SMILES for 1-benzyl-N-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]piperidin-4-amine is Cc1ccc(-c2cnc(CNC3CCN(Cc4ccccc4)CC3)s2)o1.
What is the InChIKey of 1-benzyl-N-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]piperidin-4-amine?
The InChIKey is WNLZHWXCKITSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3OS/c1-16-7-8-19(25-16)20-13-23-21(26-20)14-22-18-9-11-24(12-10-18)15-17-5-3-2-4-6-17/h2-8,13,18,22H,9-12,14-15H2,1H3.
What are the key properties of 1-benzyl-N-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]piperidin-4-amine?
1-benzyl-N-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]piperidin-4-amine has a molecular weight of 367.52 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 53273477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).