(3S,4S)-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-naphthalen-2-ylpiperidin-3-ol

C19H20N2O2S — CID 50965295

IUPAC(3S,4S)-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-naphthalen-2-ylpiperidin-3-ol
SMILESOCc1csc(N2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)n1
InChIInChI=1S/C19H20N2O2S/c22-11-16-12-24-19(20-16)21-8-7-17(18(23)10-21)15-6-5-13-3-1-2-4-14(13)9-15/h1-6,9,12,17-18,22-23H,7-8,10-11H2/t17-,18+/m0/s1
InChIKeyUXOCZCOQMJBOMW-ZWKOTPCHSA-N
MW340.45 g/mol
LogP3.14
Rot. Bonds3

About (3S,4S)-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-naphthalen-2-ylpiperidin-3-ol

(3S,4S)-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-naphthalen-2-ylpiperidin-3-ol (PubChem CID 50965295) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is (3S,4S)-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-naphthalen-2-ylpiperidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-naphthalen-2-ylpiperidin-3-ol
PubChem CID50965295
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name(3S,4S)-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-naphthalen-2-ylpiperidin-3-ol
SMILESOCc1csc(N2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)n1
InChIInChI=1S/C19H20N2O2S/c22-11-16-12-24-19(20-16)21-8-7-17(18(23)10-21)15-6-5-13-3-1-2-4-14(13)9-15/h1-6,9,12,17-18,22-23H,7-8,10-11H2/t17-,18+/m0/s1
InChIKeyUXOCZCOQMJBOMW-ZWKOTPCHSA-N
XLogP3.14
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4S)-1-(6-ethylpyrimidin-4-yl)-4-naphthalen-2-ylpiperidin-3-ol
CID 56706134
(3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidin-3-ol
CID 56872579
(6S)-1-benzyl-4-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-1,4-diazepan-6-ol
CID 100599650
(3S,4S)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-naphthalen-2-ylpiperidin-3-ol
CID 56720699
2-[(3R,4R)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-6-methylpyridine-3-carbonitrile
CID 133113211
3-hydroxy-4-naphthalen-2-ylpiperidine-1-carboxylic acid
CID 22127361
2-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]pyridine-3-carboxamide
CID 50983878
2-(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)pyridine-3-carboxamide
CID 75595348
1-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]propan-1-one
CID 56715170
[2-[4-(3-methylphenoxy)piperidin-1-yl]-1,3-thiazol-4-yl]methanol
CID 72934410
(3S,4S)-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-methylpiperidine-3,4-diol
CID 74232019
[2-[(3S)-3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-1,3-thiazol-4-yl]methanol
CID 97271520

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-naphthalen-2-ylpiperidin-3-ol?
The IUPAC name of (3S,4S)-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-naphthalen-2-ylpiperidin-3-ol (CID 50965295) is (3S,4S)-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-naphthalen-2-ylpiperidin-3-ol.
What is the SMILES notation for (3S,4S)-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-naphthalen-2-ylpiperidin-3-ol?
The canonical SMILES for (3S,4S)-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-naphthalen-2-ylpiperidin-3-ol is OCc1csc(N2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)n1.
What is the InChIKey of (3S,4S)-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-naphthalen-2-ylpiperidin-3-ol?
The InChIKey is UXOCZCOQMJBOMW-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H20N2O2S/c22-11-16-12-24-19(20-16)21-8-7-17(18(23)10-21)15-6-5-13-3-1-2-4-14(13)9-15/h1-6,9,12,17-18,22-23H,7-8,10-11H2/t17-,18+/m0/s1.
What are the key properties of (3S,4S)-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-naphthalen-2-ylpiperidin-3-ol?
(3S,4S)-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-naphthalen-2-ylpiperidin-3-ol has a molecular weight of 340.45 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-naphthalen-2-ylpiperidin-3-ol is sourced from PubChem (CID 50965295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).