(2-ethyl-1,3-thiazol-5-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone

C12H18N2O2S — CID 110907783

IUPAC(2-ethyl-1,3-thiazol-5-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCCc1ncc(C(=O)N2CCCC(CO)C2)s1
InChIInChI=1S/C12H18N2O2S/c1-2-11-13-6-10(17-11)12(16)14-5-3-4-9(7-14)8-15/h6,9,15H,2-5,7-8H2,1H3
InChIKeyUENSMJLTCPCHEU-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.55
Rot. Bonds3

About (2-ethyl-1,3-thiazol-5-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone

(2-ethyl-1,3-thiazol-5-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 110907783) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is (2-ethyl-1,3-thiazol-5-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethyl-1,3-thiazol-5-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID110907783
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name(2-ethyl-1,3-thiazol-5-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCCc1ncc(C(=O)N2CCCC(CO)C2)s1
InChIInChI=1S/C12H18N2O2S/c1-2-11-13-6-10(17-11)12(16)14-5-3-4-9(7-14)8-15/h6,9,15H,2-5,7-8H2,1H3
InChIKeyUENSMJLTCPCHEU-UHFFFAOYSA-N
XLogP1.55
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-ethyl-1,3-thiazole-5-carbonyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 86847767
[5-(ethylamino)pyrazin-2-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 107373865
[3-(hydroxymethyl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 43589511
[(3R)-3-hydroxypyrrolidin-1-yl]-(2-propyl-1,3-thiazol-5-yl)methanone
CID 111560884
[3-(hydroxymethyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 43403274
[(3R)-3-aminopiperidin-1-yl]-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanone
CID 124593980
[(4R)-4-[(6-amino-3-pyridinyl)amino]azepan-1-yl]-(2-ethyl-1,3-thiazol-5-yl)methanone
CID 129341877
(2-ethyl-1,3-thiazol-5-yl)-[4-(2-methylpropoxy)piperidin-1-yl]methanone
CID 48579290
(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43430927
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 111108857
(6-amino-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 62151239
[3-(hydroxymethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 43422119

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-1,3-thiazol-5-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-ethyl-1,3-thiazol-5-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone (CID 110907783) is (2-ethyl-1,3-thiazol-5-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-ethyl-1,3-thiazol-5-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-ethyl-1,3-thiazol-5-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone is CCc1ncc(C(=O)N2CCCC(CO)C2)s1.
What is the InChIKey of (2-ethyl-1,3-thiazol-5-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is UENSMJLTCPCHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-2-11-13-6-10(17-11)12(16)14-5-3-4-9(7-14)8-15/h6,9,15H,2-5,7-8H2,1H3.
What are the key properties of (2-ethyl-1,3-thiazol-5-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
(2-ethyl-1,3-thiazol-5-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 254.35 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-1,3-thiazol-5-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 110907783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).