1-[3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]propyl]piperidin-4-ol

C16H23N3OS2 — CID 110906485

IUPAC1-[3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]propyl]piperidin-4-ol
SMILESOC1CCN(CCCNCc2csc(-c3ccsc3)n2)CC1
InChIInChI=1S/C16H23N3OS2/c20-15-2-7-19(8-3-15)6-1-5-17-10-14-12-22-16(18-14)13-4-9-21-11-13/h4,9,11-12,15,17,20H,1-3,5-8,10H2
InChIKeyDAIIHTMKOGYSFN-UHFFFAOYSA-N
MW337.51 g/mol
LogP2.81
Rot. Bonds7

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

1-[3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]propyl]piperidin-4-ol (PubChem CID 110906485) has the molecular formula C16H23N3OS2 and a molecular weight of 337.51 g/mol. Its IUPAC name is 1-[3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]propyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]propyl]piperidin-4-ol
PubChem CID110906485
Molecular FormulaC16H23N3OS2
Molecular Weight337.51 g/mol
Exact Mass337.13
IUPAC Name1-[3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]propyl]piperidin-4-ol
SMILESOC1CCN(CCCNCc2csc(-c3ccsc3)n2)CC1
InChIInChI=1S/C16H23N3OS2/c20-15-2-7-19(8-3-15)6-1-5-17-10-14-12-22-16(18-14)13-4-9-21-11-13/h4,9,11-12,15,17,20H,1-3,5-8,10H2
InChIKeyDAIIHTMKOGYSFN-UHFFFAOYSA-N
XLogP2.81
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-ol
CID 55130969
2-methyl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 115573430
2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-[3-(4-hydroxypiperidin-1-yl)propyl]acetamide
CID 111435984
N-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 119114170
1-[3-[(4-ethylphenyl)methylamino]propyl]piperidin-4-ol
CID 110906462
1-[3-[(3-pyridin-4-ylphenyl)methylamino]propyl]piperidin-4-ol
CID 111478246
1-[3-(furan-2-ylmethylamino)propyl]piperidin-4-ol
CID 110929404
[(2R)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 62734410
2-thiophen-3-yl-4-[[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]methyl]-1,3-thiazole
CID 31313736
4-(bromomethyl)-2-thiophen-3-yl-1,3-thiazole
CID 81222713
1-(dimethylamino)-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]propan-2-ol
CID 111579179
N-cyclopropyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 17392861

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]propyl]piperidin-4-ol?
The IUPAC name of 1-[3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]propyl]piperidin-4-ol (CID 110906485) is 1-[3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]propyl]piperidin-4-ol.
What is the SMILES notation for 1-[3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]propyl]piperidin-4-ol?
The canonical SMILES for 1-[3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]propyl]piperidin-4-ol is OC1CCN(CCCNCc2csc(-c3ccsc3)n2)CC1.
What is the InChIKey of 1-[3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]propyl]piperidin-4-ol?
The InChIKey is DAIIHTMKOGYSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS2/c20-15-2-7-19(8-3-15)6-1-5-17-10-14-12-22-16(18-14)13-4-9-21-11-13/h4,9,11-12,15,17,20H,1-3,5-8,10H2.
What are the key properties of 1-[3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]propyl]piperidin-4-ol?
1-[3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]propyl]piperidin-4-ol has a molecular weight of 337.51 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]propyl]piperidin-4-ol is sourced from PubChem (CID 110906485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).