1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one

C12H18N2OS — CID 71683906

IUPAC1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(c2nccs2)CC1
InChIInChI=1S/C12H18N2OS/c1-2-3-11(15)14-7-4-10(5-8-14)12-13-6-9-16-12/h6,9-10H,2-5,7-8H2,1H3
InChIKeyHNQFZVLRYHHTIY-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.65
Rot. Bonds3

About 1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one

1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one (PubChem CID 71683906) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one
PubChem CID71683906
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(c2nccs2)CC1
InChIInChI=1S/C12H18N2OS/c1-2-3-11(15)14-7-4-10(5-8-14)12-13-6-9-16-12/h6,9-10H,2-5,7-8H2,1H3
InChIKeyHNQFZVLRYHHTIY-UHFFFAOYSA-N
XLogP2.65
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1,3-Thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone
CID 3234275
1-[9-(1,3-Thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]ethanone
CID 3232808
1-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]ethanone
CID 3233453
N-ethyl-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide
CID 71910308
2-[Cyclopropyl(methyl)amino]-1-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 72122391
Cyclopentyl-[4-[2-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]piperazin-1-yl]methanone
CID 84595438
2-Ethyl-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97370133
2-(2-Methylpropyl)-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97370161
N,N-dimethyl-2-[1-oxo-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide
CID 97370241
2-Methyl-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97393149
1-[4-Methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]-2-(oxan-4-yl)ethanone
CID 110114179
2-Ethoxy-1-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 110114323

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one?
The IUPAC name of 1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one (CID 71683906) is 1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one is CCCC(=O)N1CCC(c2nccs2)CC1.
What is the InChIKey of 1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one?
The InChIKey is HNQFZVLRYHHTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-2-3-11(15)14-7-4-10(5-8-14)12-13-6-9-16-12/h6,9-10H,2-5,7-8H2,1H3.
What are the key properties of 1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one?
1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one has a molecular weight of 238.36 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 71683906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).