(3-hydroxypiperidin-1-yl)-(2-thiophen-2-yl-1,3-thiazol-5-yl)methanone

C13H14N2O2S2 — CID 110928448

IUPAC(3-hydroxypiperidin-1-yl)-(2-thiophen-2-yl-1,3-thiazol-5-yl)methanone
SMILESO=C(c1cnc(-c2cccs2)s1)N1CCCC(O)C1
InChIInChI=1S/C13H14N2O2S2/c16-9-3-1-5-15(8-9)13(17)11-7-14-12(19-11)10-4-2-6-18-10/h2,4,6-7,9,16H,1,3,5,8H2
InChIKeyXXEZXJVCDIMBBJ-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.47
Rot. Bonds2

About (3-hydroxypiperidin-1-yl)-(2-thiophen-2-yl-1,3-thiazol-5-yl)methanone

(3-hydroxypiperidin-1-yl)-(2-thiophen-2-yl-1,3-thiazol-5-yl)methanone (PubChem CID 110928448) has the molecular formula C13H14N2O2S2 and a molecular weight of 294.40 g/mol. Its IUPAC name is (3-hydroxypiperidin-1-yl)-(2-thiophen-2-yl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name(3-hydroxypiperidin-1-yl)-(2-thiophen-2-yl-1,3-thiazol-5-yl)methanone
PubChem CID110928448
Molecular FormulaC13H14N2O2S2
Molecular Weight294.40 g/mol
Exact Mass294.05
IUPAC Name(3-hydroxypiperidin-1-yl)-(2-thiophen-2-yl-1,3-thiazol-5-yl)methanone
SMILESO=C(c1cnc(-c2cccs2)s1)N1CCCC(O)C1
InChIInChI=1S/C13H14N2O2S2/c16-9-3-1-5-15(8-9)13(17)11-7-14-12(19-11)10-4-2-6-18-10/h2,4,6-7,9,16H,1,3,5,8H2
InChIKeyXXEZXJVCDIMBBJ-UHFFFAOYSA-N
XLogP2.47
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(9aS)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-(2-thiophen-2-yl-1,3-thiazol-5-yl)methanone
CID 95174199
1-(2-thiophen-2-yl-1,3-thiazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 119354254
[(3S)-3-hydroxypiperidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
CID 107224496
(2S)-1-(2-thiophen-2-yl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 125148770
(2-fluorophenyl)-[4-(2-thiophen-2-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone
CID 86883382
[5-(1,3-benzothiazol-2-yl)thiophen-2-yl]-(3-hydroxypiperidin-1-yl)methanone
CID 110878353
1-(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)piperidine-3-carboxylic acid
CID 122159680
[(3R)-3-hydroxypyrrolidin-1-yl]-(2-propyl-1,3-thiazol-5-yl)methanone
CID 111560884
(3-aminopiperidin-1-yl)-[2-(2-chlorophenyl)-1,3-thiazol-5-yl]methanone;hydrochloride
CID 119377484
[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-(2-pyridin-4-yl-1,3-thiazol-5-yl)methanone
CID 125135338
[(3R)-3-phenylpiperidin-1-yl]-thiophen-2-ylmethanone
CID 740549
[(3S)-3-(methylamino)piperidin-1-yl]-thiophen-2-ylmethanone
CID 94475795

Frequently Asked Questions

What is the IUPAC name of (3-hydroxypiperidin-1-yl)-(2-thiophen-2-yl-1,3-thiazol-5-yl)methanone?
The IUPAC name of (3-hydroxypiperidin-1-yl)-(2-thiophen-2-yl-1,3-thiazol-5-yl)methanone (CID 110928448) is (3-hydroxypiperidin-1-yl)-(2-thiophen-2-yl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for (3-hydroxypiperidin-1-yl)-(2-thiophen-2-yl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for (3-hydroxypiperidin-1-yl)-(2-thiophen-2-yl-1,3-thiazol-5-yl)methanone is O=C(c1cnc(-c2cccs2)s1)N1CCCC(O)C1.
What is the InChIKey of (3-hydroxypiperidin-1-yl)-(2-thiophen-2-yl-1,3-thiazol-5-yl)methanone?
The InChIKey is XXEZXJVCDIMBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S2/c16-9-3-1-5-15(8-9)13(17)11-7-14-12(19-11)10-4-2-6-18-10/h2,4,6-7,9,16H,1,3,5,8H2.
What are the key properties of (3-hydroxypiperidin-1-yl)-(2-thiophen-2-yl-1,3-thiazol-5-yl)methanone?
(3-hydroxypiperidin-1-yl)-(2-thiophen-2-yl-1,3-thiazol-5-yl)methanone has a molecular weight of 294.40 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxypiperidin-1-yl)-(2-thiophen-2-yl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 110928448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).