[1-benzyl-4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]piperidin-3-yl]methanol

C21H25N3OS2 — CID 75373117

IUPAC[1-benzyl-4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]piperidin-3-yl]methanol
SMILESOCC1CN(Cc2ccccc2)CCC1NCc1csc(-c2cccs2)n1
InChIInChI=1S/C21H25N3OS2/c25-14-17-13-24(12-16-5-2-1-3-6-16)9-8-19(17)22-11-18-15-27-21(23-18)20-7-4-10-26-20/h1-7,10,15,17,19,22,25H,8-9,11-14H2
InChIKeyMGXJUVSGLNHZRG-UHFFFAOYSA-N
MW399.59 g/mol
LogP3.84
Rot. Bonds7

About [1-benzyl-4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]piperidin-3-yl]methanol

[1-benzyl-4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]piperidin-3-yl]methanol (PubChem CID 75373117) has the molecular formula C21H25N3OS2 and a molecular weight of 399.59 g/mol. Its IUPAC name is [1-benzyl-4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-benzyl-4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]piperidin-3-yl]methanol
PubChem CID75373117
Molecular FormulaC21H25N3OS2
Molecular Weight399.59 g/mol
Exact Mass399.14
IUPAC Name[1-benzyl-4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]piperidin-3-yl]methanol
SMILESOCC1CN(Cc2ccccc2)CCC1NCc1csc(-c2cccs2)n1
InChIInChI=1S/C21H25N3OS2/c25-14-17-13-24(12-16-5-2-1-3-6-16)9-8-19(17)22-11-18-15-27-21(23-18)20-7-4-10-26-20/h1-7,10,15,17,19,22,25H,8-9,11-14H2
InChIKeyMGXJUVSGLNHZRG-UHFFFAOYSA-N
XLogP3.84
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.59
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [1-benzyl-4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]piperidin-3-yl]methanol with MolForge

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Related Compounds

[(3R,4S)-1-benzyl-4-(methylamino)piperidin-3-yl]methanol
CID 129426999
2-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclopropan-1-amine
CID 115614557
1-benzyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine
CID 43223648
[(3S,4S)-1-benzyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-3-yl]methanol
CID 98790961
1-[1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethanol
CID 111113942
4-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-2-thiophen-2-yl-1,3-thiazole
CID 120968486
1-benzyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine
CID 56718052
1-benzyl-N-[(5-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
CID 53272644
1-phenyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]methanesulfonamide
CID 2738760
N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 24516052
[(3R,4S)-1-benzyl-3-(ethylamino)piperidin-4-yl]methanol
CID 97177578
1-benzyl-3-(hydroxymethyl)piperidin-4-ol;methanol
CID 158581006

Frequently Asked Questions

What is the IUPAC name of [1-benzyl-4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]piperidin-3-yl]methanol?
The IUPAC name of [1-benzyl-4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]piperidin-3-yl]methanol (CID 75373117) is [1-benzyl-4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]piperidin-3-yl]methanol.
What is the SMILES notation for [1-benzyl-4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]piperidin-3-yl]methanol?
The canonical SMILES for [1-benzyl-4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]piperidin-3-yl]methanol is OCC1CN(Cc2ccccc2)CCC1NCc1csc(-c2cccs2)n1.
What is the InChIKey of [1-benzyl-4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]piperidin-3-yl]methanol?
The InChIKey is MGXJUVSGLNHZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3OS2/c25-14-17-13-24(12-16-5-2-1-3-6-16)9-8-19(17)22-11-18-15-27-21(23-18)20-7-4-10-26-20/h1-7,10,15,17,19,22,25H,8-9,11-14H2.
What are the key properties of [1-benzyl-4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]piperidin-3-yl]methanol?
[1-benzyl-4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]piperidin-3-yl]methanol has a molecular weight of 399.59 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzyl-4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]piperidin-3-yl]methanol is sourced from PubChem (CID 75373117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).