1-[3-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone

C15H18N2OS2 — CID 122146920

IUPAC1-[3-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(c2nc(-c3ccc(C)s3)cs2)C1
InChIInChI=1S/C15H18N2OS2/c1-10-5-6-14(20-10)13-9-19-15(16-13)12-4-3-7-17(8-12)11(2)18/h5-6,9,12H,3-4,7-8H2,1-2H3
InChIKeyZLFJLYGLUWVJAN-UHFFFAOYSA-N
MW306.46 g/mol
LogP3.91
Rot. Bonds2

About 1-[3-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone

1-[3-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone (PubChem CID 122146920) has the molecular formula C15H18N2OS2 and a molecular weight of 306.46 g/mol. Its IUPAC name is 1-[3-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone
PubChem CID122146920
Molecular FormulaC15H18N2OS2
Molecular Weight306.46 g/mol
Exact Mass306.09
IUPAC Name1-[3-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(c2nc(-c3ccc(C)s3)cs2)C1
InChIInChI=1S/C15H18N2OS2/c1-10-5-6-14(20-10)13-9-19-15(16-13)12-4-3-7-17(8-12)11(2)18/h5-6,9,12H,3-4,7-8H2,1-2H3
InChIKeyZLFJLYGLUWVJAN-UHFFFAOYSA-N
XLogP3.91
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 53016829
1-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 53016835
1-[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone
CID 122135861
methyl 4-[2-(1-acetylpyrrolidin-3-yl)-1,3-thiazol-4-yl]benzoate
CID 167917290
1-[(3R)-3-(4-but-3-enyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 97101620
2-methoxy-1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95051897
(1-aminocyclohexyl)-[3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride
CID 119873411
2-[5-(2-cyclobutyl-1,3-thiazol-4-yl)thiophen-2-yl]acetic acid
CID 64982442
1-[(3R)-3-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]ethanone
CID 51867849
1-[(3S)-3-[5-(5-methyl-1,3-thiazol-2-yl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 124959024
(3-methylfuran-2-yl)-[3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 86768617
cyclopropyl-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95051901

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[3-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone (CID 122146920) is 1-[3-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone is CC(=O)N1CCCC(c2nc(-c3ccc(C)s3)cs2)C1.
What is the InChIKey of 1-[3-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone?
The InChIKey is ZLFJLYGLUWVJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS2/c1-10-5-6-14(20-10)13-9-19-15(16-13)12-4-3-7-17(8-12)11(2)18/h5-6,9,12H,3-4,7-8H2,1-2H3.
What are the key properties of 1-[3-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone?
1-[3-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone has a molecular weight of 306.46 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 122146920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).