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

C14H18N2OS2 — CID 80703386

IUPAC4-methyl-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
SMILESCC1(O)CCN(Cc2csc(-c3ccsc3)n2)CC1
InChIInChI=1S/C14H18N2OS2/c1-14(17)3-5-16(6-4-14)8-12-10-19-13(15-12)11-2-7-18-9-11/h2,7,9-10,17H,3-6,8H2,1H3
InChIKeyCLONZHBQXRDPFQ-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.22
Rot. Bonds3

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

4-methyl-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-4-ol (PubChem CID 80703386) has the molecular formula C14H18N2OS2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 4-methyl-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-methyl-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
PubChem CID80703386
Molecular FormulaC14H18N2OS2
Molecular Weight294.44 g/mol
Exact Mass294.09
IUPAC Name4-methyl-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
SMILESCC1(O)CCN(Cc2csc(-c3ccsc3)n2)CC1
InChIInChI=1S/C14H18N2OS2/c1-14(17)3-5-16(6-4-14)8-12-10-19-13(15-12)11-2-7-18-9-11/h2,7,9-10,17H,3-6,8H2,1H3
InChIKeyCLONZHBQXRDPFQ-UHFFFAOYSA-N
XLogP3.22
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

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
1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpiperidin-4-ol
CID 80703333
4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole
CID 30412348
1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-ol
CID 55130969
4-[(3,5-dimethylpiperazin-1-yl)methyl]-2-thiophen-3-yl-1,3-thiazole
CID 63873907
4-[[(3R)-3-methylpiperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole
CID 113345871
4-[(3-piperazin-1-ylazetidin-1-yl)methyl]-2-thiophen-3-yl-1,3-thiazole
CID 66197338
2-methyl-4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]morpholine
CID 134055306
8-[[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]isoquinolin-7-ol
CID 30740699
4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-2-thiophen-3-yl-1,3-thiazole
CID 60916712
4-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 24606979
4-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
CID 81116115

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-4-ol?
The IUPAC name of 4-methyl-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-4-ol (CID 80703386) is 4-methyl-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 4-methyl-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-4-ol?
The canonical SMILES for 4-methyl-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-4-ol is CC1(O)CCN(Cc2csc(-c3ccsc3)n2)CC1.
What is the InChIKey of 4-methyl-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-4-ol?
The InChIKey is CLONZHBQXRDPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS2/c1-14(17)3-5-16(6-4-14)8-12-10-19-13(15-12)11-2-7-18-9-11/h2,7,9-10,17H,3-6,8H2,1H3.
What are the key properties of 4-methyl-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-4-ol?
4-methyl-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-4-ol has a molecular weight of 294.44 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 80703386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).