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

C16H23N3OS — CID 75380785

IUPACN-[(5-ethylfuran-2-yl)methyl]-1-(1,3-thiazol-4-ylmethyl)piperidin-4-amine
SMILESCCc1ccc(CNC2CCN(Cc3cscn3)CC2)o1
InChIInChI=1S/C16H23N3OS/c1-2-15-3-4-16(20-15)9-17-13-5-7-19(8-6-13)10-14-11-21-12-18-14/h3-4,11-13,17H,2,5-10H2,1H3
InChIKeyUNFFSJHSDRIZGN-UHFFFAOYSA-N
MW305.45 g/mol
LogP3.05
Rot. Bonds6

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

N-[(5-ethylfuran-2-yl)methyl]-1-(1,3-thiazol-4-ylmethyl)piperidin-4-amine (PubChem CID 75380785) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is N-[(5-ethylfuran-2-yl)methyl]-1-(1,3-thiazol-4-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(5-ethylfuran-2-yl)methyl]-1-(1,3-thiazol-4-ylmethyl)piperidin-4-amine
PubChem CID75380785
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC NameN-[(5-ethylfuran-2-yl)methyl]-1-(1,3-thiazol-4-ylmethyl)piperidin-4-amine
SMILESCCc1ccc(CNC2CCN(Cc3cscn3)CC2)o1
InChIInChI=1S/C16H23N3OS/c1-2-15-3-4-16(20-15)9-17-13-5-7-19(8-6-13)10-14-11-21-12-18-14/h3-4,11-13,17H,2,5-10H2,1H3
InChIKeyUNFFSJHSDRIZGN-UHFFFAOYSA-N
XLogP3.05
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopropylmethyl)-1-(1,3-thiazol-4-ylmethyl)piperidin-4-amine
CID 78924569
N-[[5-[(4-ethylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62412903
N-[(5-ethylfuran-2-yl)methyl]-1-methylpyrrolidin-3-amine
CID 62344751
N-[[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 63160019
N-(1,3-thiazol-4-ylmethyl)cyclooctanamine
CID 60687158
N-[(5-ethylfuran-2-yl)methyl]-1-propylsulfonylpiperidin-4-amine
CID 62344557
N-[[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62440129
N-[[1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 63830989
1-(1,3-thiazol-4-ylmethyl)-N-(2,2,5-trimethylhexan-3-yl)piperidin-4-amine
CID 75444299
N-[(5-ethylfuran-2-yl)methyl]thiolan-3-amine
CID 103766021
4-ethyl-N-(1,3-thiazol-4-ylmethyl)cycloheptan-1-amine
CID 65088346
4-[(5-ethylfuran-2-yl)methylamino]cyclohexane-1-carboxylic acid
CID 65055158

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-1-(1,3-thiazol-4-ylmethyl)piperidin-4-amine?
The IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-1-(1,3-thiazol-4-ylmethyl)piperidin-4-amine (CID 75380785) is N-[(5-ethylfuran-2-yl)methyl]-1-(1,3-thiazol-4-ylmethyl)piperidin-4-amine.
What is the SMILES notation for N-[(5-ethylfuran-2-yl)methyl]-1-(1,3-thiazol-4-ylmethyl)piperidin-4-amine?
The canonical SMILES for N-[(5-ethylfuran-2-yl)methyl]-1-(1,3-thiazol-4-ylmethyl)piperidin-4-amine is CCc1ccc(CNC2CCN(Cc3cscn3)CC2)o1.
What is the InChIKey of N-[(5-ethylfuran-2-yl)methyl]-1-(1,3-thiazol-4-ylmethyl)piperidin-4-amine?
The InChIKey is UNFFSJHSDRIZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-2-15-3-4-16(20-15)9-17-13-5-7-19(8-6-13)10-14-11-21-12-18-14/h3-4,11-13,17H,2,5-10H2,1H3.
What are the key properties of N-[(5-ethylfuran-2-yl)methyl]-1-(1,3-thiazol-4-ylmethyl)piperidin-4-amine?
N-[(5-ethylfuran-2-yl)methyl]-1-(1,3-thiazol-4-ylmethyl)piperidin-4-amine has a molecular weight of 305.45 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylfuran-2-yl)methyl]-1-(1,3-thiazol-4-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 75380785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).