2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1-(3-hydroxypiperidin-1-yl)ethanone

C14H15ClN2O2S2 — CID 110904420

IUPAC2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1-(3-hydroxypiperidin-1-yl)ethanone
SMILESO=C(Cc1csc(-c2ccc(Cl)s2)n1)N1CCCC(O)C1
InChIInChI=1S/C14H15ClN2O2S2/c15-12-4-3-11(21-12)14-16-9(8-20-14)6-13(19)17-5-1-2-10(18)7-17/h3-4,8,10,18H,1-2,5-7H2
InChIKeyVNSFDCWIHZYCLM-UHFFFAOYSA-N
MW342.87 g/mol
LogP3.05
Rot. Bonds3

About 2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1-(3-hydroxypiperidin-1-yl)ethanone

2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1-(3-hydroxypiperidin-1-yl)ethanone (PubChem CID 110904420) has the molecular formula C14H15ClN2O2S2 and a molecular weight of 342.87 g/mol. Its IUPAC name is 2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1-(3-hydroxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1-(3-hydroxypiperidin-1-yl)ethanone
PubChem CID110904420
Molecular FormulaC14H15ClN2O2S2
Molecular Weight342.87 g/mol
Exact Mass342.03
IUPAC Name2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1-(3-hydroxypiperidin-1-yl)ethanone
SMILESO=C(Cc1csc(-c2ccc(Cl)s2)n1)N1CCCC(O)C1
InChIInChI=1S/C14H15ClN2O2S2/c15-12-4-3-11(21-12)14-16-9(8-20-14)6-13(19)17-5-1-2-10(18)7-17/h3-4,8,10,18H,1-2,5-7H2
InChIKeyVNSFDCWIHZYCLM-UHFFFAOYSA-N
XLogP3.05
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1-(3-hydroxypiperidin-1-yl)ethanone with MolForge

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Related Compounds

2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1-[(2R)-2-methylmorpholin-4-yl]ethanone
CID 94676087
(2R)-4-[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]morpholine-2-carboxylic acid
CID 124704011
2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone
CID 167908848
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone
CID 124575158
[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;dihydrochloride
CID 119492881
2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1-phenylethanone
CID 62366878
(3S)-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperidine-3-carboxylic acid
CID 29136377
1-[4-[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone
CID 56520747
1-[3-(methylamino)piperidin-1-yl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanone
CID 119488489
1-(3,4-dihydroxypyrrolidin-1-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanone
CID 106672042
2-[[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]-methylamino]acetic acid
CID 119137122
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanone
CID 119412834

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1-(3-hydroxypiperidin-1-yl)ethanone?
The IUPAC name of 2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1-(3-hydroxypiperidin-1-yl)ethanone (CID 110904420) is 2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1-(3-hydroxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1-(3-hydroxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1-(3-hydroxypiperidin-1-yl)ethanone is O=C(Cc1csc(-c2ccc(Cl)s2)n1)N1CCCC(O)C1.
What is the InChIKey of 2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1-(3-hydroxypiperidin-1-yl)ethanone?
The InChIKey is VNSFDCWIHZYCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S2/c15-12-4-3-11(21-12)14-16-9(8-20-14)6-13(19)17-5-1-2-10(18)7-17/h3-4,8,10,18H,1-2,5-7H2.
What are the key properties of 2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1-(3-hydroxypiperidin-1-yl)ethanone?
2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1-(3-hydroxypiperidin-1-yl)ethanone has a molecular weight of 342.87 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1-(3-hydroxypiperidin-1-yl)ethanone is sourced from PubChem (CID 110904420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).