[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-[4-(methoxymethyl)-1,3-thiazol-5-yl]methanone

C12H18N2O4S — CID 166245568

IUPAC[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-[4-(methoxymethyl)-1,3-thiazol-5-yl]methanone
SMILESCOCc1ncsc1C(=O)N1CCCC(O)(CO)C1
InChIInChI=1S/C12H18N2O4S/c1-18-5-9-10(19-8-13-9)11(16)14-4-2-3-12(17,6-14)7-15/h8,15,17H,2-7H2,1H3
InChIKeyKARFAGSUTHEEEO-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.25
Rot. Bonds4

About [3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-[4-(methoxymethyl)-1,3-thiazol-5-yl]methanone

[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-[4-(methoxymethyl)-1,3-thiazol-5-yl]methanone (PubChem CID 166245568) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is [3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-[4-(methoxymethyl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-[4-(methoxymethyl)-1,3-thiazol-5-yl]methanone
PubChem CID166245568
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-[4-(methoxymethyl)-1,3-thiazol-5-yl]methanone
SMILESCOCc1ncsc1C(=O)N1CCCC(O)(CO)C1
InChIInChI=1S/C12H18N2O4S/c1-18-5-9-10(19-8-13-9)11(16)14-4-2-3-12(17,6-14)7-15/h8,15,17H,2-7H2,1H3
InChIKeyKARFAGSUTHEEEO-UHFFFAOYSA-N
XLogP0.25
TPSA82.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-[4-(methoxymethyl)-1,3-thiazol-5-yl]methanone with MolForge

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Related Compounds

(7,7-dimethyl-1,1-dioxo-1,4-thiazepan-4-yl)-[4-(methoxymethyl)-1,3-thiazol-5-yl]methanone
CID 146086971
1,3-benzothiazol-6-yl-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 56910797
azetidin-1-yl-(4-ethyl-1,3-thiazol-5-yl)methanone
CID 127002356
[(3R)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(4-methoxy-3,5-dimethylphenyl)methanone
CID 95720301
[(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 99992334
[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-quinolin-3-ylmethanone
CID 56890746
(3-fluoro-2-methoxyphenyl)-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 56905075
1-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-2-methyl-2-(1,3-thiazol-2-yl)propan-1-one
CID 166254626
[2-(ethylamino)pyrimidin-5-yl]-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 56898987
tert-butyl (3S)-3-hydroxy-3-(hydroxymethyl)piperidine-1-carboxylate
CID 97172659
1-[(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-4-(4-methoxyphenyl)butan-1-one
CID 95726741
(3-hydroxy-3-methylpyrrolidin-1-yl)-(4-methyl-1,3-thiazol-5-yl)methanone
CID 103727188

Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-[4-(methoxymethyl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of [3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-[4-(methoxymethyl)-1,3-thiazol-5-yl]methanone (CID 166245568) is [3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-[4-(methoxymethyl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for [3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-[4-(methoxymethyl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for [3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-[4-(methoxymethyl)-1,3-thiazol-5-yl]methanone is COCc1ncsc1C(=O)N1CCCC(O)(CO)C1.
What is the InChIKey of [3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-[4-(methoxymethyl)-1,3-thiazol-5-yl]methanone?
The InChIKey is KARFAGSUTHEEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-18-5-9-10(19-8-13-9)11(16)14-4-2-3-12(17,6-14)7-15/h8,15,17H,2-7H2,1H3.
What are the key properties of [3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-[4-(methoxymethyl)-1,3-thiazol-5-yl]methanone?
[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-[4-(methoxymethyl)-1,3-thiazol-5-yl]methanone has a molecular weight of 286.35 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-[4-(methoxymethyl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 166245568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).