1-[1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethanol

C15H20N2OS2 — CID 111113942

IUPAC1-[1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(Cc2csc(-c3cccs3)n2)CC1
InChIInChI=1S/C15H20N2OS2/c1-11(18)12-4-6-17(7-5-12)9-13-10-20-15(16-13)14-3-2-8-19-14/h2-3,8,10-12,18H,4-7,9H2,1H3
InChIKeyZBLBEZIUBBTMBX-UHFFFAOYSA-N
MW308.47 g/mol
LogP3.46
Rot. Bonds4

About 1-[1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethanol

1-[1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethanol (PubChem CID 111113942) has the molecular formula C15H20N2OS2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 1-[1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethanol
PubChem CID111113942
Molecular FormulaC15H20N2OS2
Molecular Weight308.47 g/mol
Exact Mass308.10
IUPAC Name1-[1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(Cc2csc(-c3cccs3)n2)CC1
InChIInChI=1S/C15H20N2OS2/c1-11(18)12-4-6-17(7-5-12)9-13-10-20-15(16-13)14-3-2-8-19-14/h2-3,8,10-12,18H,4-7,9H2,1H3
InChIKeyZBLBEZIUBBTMBX-UHFFFAOYSA-N
XLogP3.46
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethanol with MolForge

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Related Compounds

(1-methylimidazol-2-yl)-[1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanol
CID 45230799
N-pentyl-1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 87013934
1-[1-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]ethanol
CID 111113951
1-[1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]ethanol
CID 115966903
4-[(4-ethylpiperazin-1-yl)methyl]-2-thiophen-2-yl-1,3-thiazole;2,2,2-trifluoroacetic acid
CID 171686496
4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-thiazole
CID 51178058
N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]butan-2-amine
CID 82515815
4-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-2-thiophen-2-yl-1,3-thiazole
CID 120968486
1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]ethanol
CID 112628440
1-[1-[(2-butyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]ethanol
CID 110020463
1-[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]ethanol
CID 106837511
tert-butyl 4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,4-diazepane-1-carboxylate
CID 78903563

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethanol (CID 111113942) is 1-[1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethanol is CC(O)C1CCN(Cc2csc(-c3cccs3)n2)CC1.
What is the InChIKey of 1-[1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethanol?
The InChIKey is ZBLBEZIUBBTMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS2/c1-11(18)12-4-6-17(7-5-12)9-13-10-20-15(16-13)14-3-2-8-19-14/h2-3,8,10-12,18H,4-7,9H2,1H3.
What are the key properties of 1-[1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethanol?
1-[1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethanol has a molecular weight of 308.47 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 111113942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).