2-(3-propoxypiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol

C15H24N2O2S — CID 62753542

IUPAC2-(3-propoxypiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
SMILESCCCOC1CCCN(c2nc3c(s2)C(O)CCC3)C1
InChIInChI=1S/C15H24N2O2S/c1-2-9-19-11-5-4-8-17(10-11)15-16-12-6-3-7-13(18)14(12)20-15/h11,13,18H,2-10H2,1H3
InChIKeyNNDNMUYRLVLICW-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.91
Rot. Bonds4

About 2-(3-propoxypiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol

2-(3-propoxypiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (PubChem CID 62753542) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 2-(3-propoxypiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol.

Molecular Properties

Compound Name2-(3-propoxypiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
PubChem CID62753542
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name2-(3-propoxypiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
SMILESCCCOC1CCCN(c2nc3c(s2)C(O)CCC3)C1
InChIInChI=1S/C15H24N2O2S/c1-2-9-19-11-5-4-8-17(10-11)15-16-12-6-3-7-13(18)14(12)20-15/h11,13,18H,2-10H2,1H3
InChIKeyNNDNMUYRLVLICW-UHFFFAOYSA-N
XLogP2.91
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-propoxypiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol with MolForge

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Related Compounds

2-[3-(diethylamino)pyrrolidin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 63512716
4-methyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 62764272
[4-cyclopropyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanol
CID 63918201
2-bromo-5-(3-propoxypiperidin-1-yl)-1,3,4-thiadiazole
CID 64624316
4-cyclopropyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 63918180
2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 79164749
[4-ethyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 62769335
ethyl 5-methyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazole-4-carboxylate
CID 116526769
N-[[4-ethyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 62767587
2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 63512884
4-chloro-2-(3-propoxypiperidin-1-yl)-1,3-thiazole
CID 83156216
4-(chloromethyl)-2-(3-propoxypiperidin-1-yl)-1,3-thiazole
CID 54989651

Frequently Asked Questions

What is the IUPAC name of 2-(3-propoxypiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The IUPAC name of 2-(3-propoxypiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (CID 62753542) is 2-(3-propoxypiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol.
What is the SMILES notation for 2-(3-propoxypiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The canonical SMILES for 2-(3-propoxypiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol is CCCOC1CCCN(c2nc3c(s2)C(O)CCC3)C1.
What is the InChIKey of 2-(3-propoxypiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The InChIKey is NNDNMUYRLVLICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-2-9-19-11-5-4-8-17(10-11)15-16-12-6-3-7-13(18)14(12)20-15/h11,13,18H,2-10H2,1H3.
What are the key properties of 2-(3-propoxypiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
2-(3-propoxypiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol has a molecular weight of 296.44 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propoxypiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol is sourced from PubChem (CID 62753542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).