1,3-benzothiazol-6-yl-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone

C14H16N2O3S — CID 56910797

IUPAC1,3-benzothiazol-6-yl-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc2ncsc2c1)N1CCCC(O)(CO)C1
InChIInChI=1S/C14H16N2O3S/c17-8-14(19)4-1-5-16(7-14)13(18)10-2-3-11-12(6-10)20-9-15-11/h2-3,6,9,17,19H,1,4-5,7-8H2
InChIKeyDAMXGXVFHYPGRN-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.26
Rot. Bonds2

About 1,3-benzothiazol-6-yl-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone

1,3-benzothiazol-6-yl-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 56910797) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 1,3-benzothiazol-6-yl-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name1,3-benzothiazol-6-yl-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID56910797
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name1,3-benzothiazol-6-yl-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc2ncsc2c1)N1CCCC(O)(CO)C1
InChIInChI=1S/C14H16N2O3S/c17-8-14(19)4-1-5-16(7-14)13(18)10-2-3-11-12(6-10)20-9-15-11/h2-3,6,9,17,19H,1,4-5,7-8H2
InChIKeyDAMXGXVFHYPGRN-UHFFFAOYSA-N
XLogP1.26
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-benzothiazole-6-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 63123521
[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-quinolin-3-ylmethanone
CID 56890746
1,3-benzothiazol-6-yl-(4-phenylpiperazin-1-yl)methanone
CID 2496275
1,3-benzothiazol-6-yl-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
CID 135108669
(3R)-1-(1,3-benzothiazole-6-carbonyl)piperidine-3-carboxylic acid
CID 81118458
1,3-benzothiazol-6-yl-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 61410984
(4-benzhydrylpiperazin-1-yl)-(1,3-benzothiazol-6-yl)methanone
CID 9337184
[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-[3-(1,2,4-triazol-1-yl)phenyl]methanone
CID 166294695
1,3-benzothiazol-6-yl(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)methanone
CID 74237717
3-[1-(1,3-benzothiazole-6-carbonyl)piperidin-3-yl]propanamide
CID 126766405
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl(1,3-benzothiazol-6-yl)methanone
CID 121184075
[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-[4-(methoxymethyl)-1,3-thiazol-5-yl]methanone
CID 166245568

Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazol-6-yl-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of 1,3-benzothiazol-6-yl-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone (CID 56910797) is 1,3-benzothiazol-6-yl-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for 1,3-benzothiazol-6-yl-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for 1,3-benzothiazol-6-yl-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone is O=C(c1ccc2ncsc2c1)N1CCCC(O)(CO)C1.
What is the InChIKey of 1,3-benzothiazol-6-yl-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is DAMXGXVFHYPGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c17-8-14(19)4-1-5-16(7-14)13(18)10-2-3-11-12(6-10)20-9-15-11/h2-3,6,9,17,19H,1,4-5,7-8H2.
What are the key properties of 1,3-benzothiazol-6-yl-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone?
1,3-benzothiazol-6-yl-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 292.36 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazol-6-yl-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 56910797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).