2-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]butan-1-ol

C16H23N3O2S — CID 111489708

IUPAC2-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]butan-1-ol
SMILESCCC(CO)N1CCN(Cc2csc(-c3ccco3)n2)CC1
InChIInChI=1S/C16H23N3O2S/c1-2-14(11-20)19-7-5-18(6-8-19)10-13-12-22-16(17-13)15-4-3-9-21-15/h3-4,9,12,14,20H,2,5-8,10-11H2,1H3
InChIKeyXTAPBDPZTSOFBC-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.29
Rot. Bonds6

About 2-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]butan-1-ol

2-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]butan-1-ol (PubChem CID 111489708) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is 2-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]butan-1-ol.

Molecular Properties

Compound Name2-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]butan-1-ol
PubChem CID111489708
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Name2-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]butan-1-ol
SMILESCCC(CO)N1CCN(Cc2csc(-c3ccco3)n2)CC1
InChIInChI=1S/C16H23N3O2S/c1-2-14(11-20)19-7-5-18(6-8-19)10-13-12-22-16(17-13)15-4-3-9-21-15/h3-4,9,12,14,20H,2,5-8,10-11H2,1H3
InChIKeyXTAPBDPZTSOFBC-UHFFFAOYSA-N
XLogP2.29
TPSA52.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]butan-1-ol with MolForge

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Related Compounds

3-[[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 134033856
2-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]acetic acid
CID 43521719
N-cyclopropyl-2-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]propanamide
CID 51339316
2-(furan-2-yl)-4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole
CID 134033819
2-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]butan-1-ol
CID 111489627
2-(furan-2-yl)-4-[(4-methoxypiperidin-1-yl)methyl]-1,3-thiazole
CID 134033891
2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]butan-1-ol
CID 110884307
methyl 1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylate
CID 60714594
(3S)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidin-3-ol
CID 32611074
1-(furan-2-ylmethyl)-4-pentan-3-ylpiperazine
CID 764594
(3R)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-amine;dihydrochloride
CID 119904967
N-[3-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-3-oxopropyl]-2,2-dimethylpropanamide
CID 37115839

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]butan-1-ol?
The IUPAC name of 2-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]butan-1-ol (CID 111489708) is 2-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]butan-1-ol.
What is the SMILES notation for 2-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]butan-1-ol?
The canonical SMILES for 2-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]butan-1-ol is CCC(CO)N1CCN(Cc2csc(-c3ccco3)n2)CC1.
What is the InChIKey of 2-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]butan-1-ol?
The InChIKey is XTAPBDPZTSOFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-2-14(11-20)19-7-5-18(6-8-19)10-13-12-22-16(17-13)15-4-3-9-21-15/h3-4,9,12,14,20H,2,5-8,10-11H2,1H3.
What are the key properties of 2-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]butan-1-ol?
2-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]butan-1-ol has a molecular weight of 321.45 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]butan-1-ol is sourced from PubChem (CID 111489708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).