[3-(2-hydroxyethyl)piperidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone

C15H18N2O2S2 — CID 62357457

IUPAC[3-(2-hydroxyethyl)piperidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
SMILESO=C(c1csc(-c2cccs2)n1)N1CCCC(CCO)C1
InChIInChI=1S/C15H18N2O2S2/c18-7-5-11-3-1-6-17(9-11)15(19)12-10-21-14(16-12)13-4-2-8-20-13/h2,4,8,10-11,18H,1,3,5-7,9H2
InChIKeySZFGOMUZKUKZJM-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.11
Rot. Bonds4

About [3-(2-hydroxyethyl)piperidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone

[3-(2-hydroxyethyl)piperidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone (PubChem CID 62357457) has the molecular formula C15H18N2O2S2 and a molecular weight of 322.45 g/mol. Its IUPAC name is [3-(2-hydroxyethyl)piperidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[3-(2-hydroxyethyl)piperidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
PubChem CID62357457
Molecular FormulaC15H18N2O2S2
Molecular Weight322.45 g/mol
Exact Mass322.08
IUPAC Name[3-(2-hydroxyethyl)piperidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
SMILESO=C(c1csc(-c2cccs2)n1)N1CCCC(CCO)C1
InChIInChI=1S/C15H18N2O2S2/c18-7-5-11-3-1-6-17(9-11)15(19)12-10-21-14(16-12)13-4-2-8-20-13/h2,4,8,10-11,18H,1,3,5-7,9H2
InChIKeySZFGOMUZKUKZJM-UHFFFAOYSA-N
XLogP3.11
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-3-hydroxypiperidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
CID 107224496
[2-(hydroxymethyl)pyrrolidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
CID 61409006
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
CID 79029130
piperidin-1-yl-[1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]methanone
CID 55438799
[4-(methylaminomethyl)piperidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
CID 119546783
3-[(3R)-1-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)piperidin-3-yl]propanoic acid
CID 124702033
ethyl 1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)piperidine-4-carboxylate
CID 35512800
[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
CID 56745375
[3-(2-hydroxyethyl)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 62355750
2-[1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]acetic acid
CID 61371467
phenyl-[4-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone
CID 78813030
1-[(3S)-3-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propan-1-one
CID 100738581

Frequently Asked Questions

What is the IUPAC name of [3-(2-hydroxyethyl)piperidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [3-(2-hydroxyethyl)piperidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone (CID 62357457) is [3-(2-hydroxyethyl)piperidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [3-(2-hydroxyethyl)piperidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [3-(2-hydroxyethyl)piperidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone is O=C(c1csc(-c2cccs2)n1)N1CCCC(CCO)C1.
What is the InChIKey of [3-(2-hydroxyethyl)piperidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone?
The InChIKey is SZFGOMUZKUKZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S2/c18-7-5-11-3-1-6-17(9-11)15(19)12-10-21-14(16-12)13-4-2-8-20-13/h2,4,8,10-11,18H,1,3,5-7,9H2.
What are the key properties of [3-(2-hydroxyethyl)piperidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone?
[3-(2-hydroxyethyl)piperidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone has a molecular weight of 322.45 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-hydroxyethyl)piperidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 62357457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).