1-[2-[2-(2-methylpiperidin-1-yl)ethyl]-4-propyl-1,3-thiazol-5-yl]ethanone

C16H26N2OS — CID 82433152

IUPAC1-[2-[2-(2-methylpiperidin-1-yl)ethyl]-4-propyl-1,3-thiazol-5-yl]ethanone
SMILESCCCc1nc(CCN2CCCCC2C)sc1C(C)=O
InChIInChI=1S/C16H26N2OS/c1-4-7-14-16(13(3)19)20-15(17-14)9-11-18-10-6-5-8-12(18)2/h12H,4-11H2,1-3H3
InChIKeyWXTRGJLIEPEDQV-UHFFFAOYSA-N
MW294.46 g/mol
LogP3.72
Rot. Bonds6

About 1-[2-[2-(2-methylpiperidin-1-yl)ethyl]-4-propyl-1,3-thiazol-5-yl]ethanone

1-[2-[2-(2-methylpiperidin-1-yl)ethyl]-4-propyl-1,3-thiazol-5-yl]ethanone (PubChem CID 82433152) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 1-[2-[2-(2-methylpiperidin-1-yl)ethyl]-4-propyl-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-[2-(2-methylpiperidin-1-yl)ethyl]-4-propyl-1,3-thiazol-5-yl]ethanone
PubChem CID82433152
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name1-[2-[2-(2-methylpiperidin-1-yl)ethyl]-4-propyl-1,3-thiazol-5-yl]ethanone
SMILESCCCc1nc(CCN2CCCCC2C)sc1C(C)=O
InChIInChI=1S/C16H26N2OS/c1-4-7-14-16(13(3)19)20-15(17-14)9-11-18-10-6-5-8-12(18)2/h12H,4-11H2,1-3H3
InChIKeyWXTRGJLIEPEDQV-UHFFFAOYSA-N
XLogP3.72
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-methyl-2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 82193766
2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carboxylic acid
CID 82191362
1-[4-methyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]ethanone
CID 82427476
N-[[4-ethyl-2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82430727
1-(2-cyclohexyl-4-propyl-1,3-thiazol-5-yl)ethanone
CID 82432421
2-[2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]acetic acid
CID 82424977
2-(2-methylpiperidin-1-yl)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 62764931
2-[2-[(2-methylpiperidin-1-yl)methyl]-4-propyl-1,3-thiazol-5-yl]propan-2-amine
CID 82432975
4-butyl-2-(2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxylic acid
CID 82227551
4-cyclopropyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazole-5-carboxylic acid
CID 82227364
1-[4-(methoxymethyl)-2-propyl-1,3-thiazol-5-yl]ethanone
CID 82440170
2-[2-[(2-methylpiperidin-1-yl)methyl]-4-propyl-1,3-thiazol-5-yl]acetonitrile
CID 82432970

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-methylpiperidin-1-yl)ethyl]-4-propyl-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-[2-(2-methylpiperidin-1-yl)ethyl]-4-propyl-1,3-thiazol-5-yl]ethanone (CID 82433152) is 1-[2-[2-(2-methylpiperidin-1-yl)ethyl]-4-propyl-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-[2-(2-methylpiperidin-1-yl)ethyl]-4-propyl-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-[2-(2-methylpiperidin-1-yl)ethyl]-4-propyl-1,3-thiazol-5-yl]ethanone is CCCc1nc(CCN2CCCCC2C)sc1C(C)=O.
What is the InChIKey of 1-[2-[2-(2-methylpiperidin-1-yl)ethyl]-4-propyl-1,3-thiazol-5-yl]ethanone?
The InChIKey is WXTRGJLIEPEDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-4-7-14-16(13(3)19)20-15(17-14)9-11-18-10-6-5-8-12(18)2/h12H,4-11H2,1-3H3.
What are the key properties of 1-[2-[2-(2-methylpiperidin-1-yl)ethyl]-4-propyl-1,3-thiazol-5-yl]ethanone?
1-[2-[2-(2-methylpiperidin-1-yl)ethyl]-4-propyl-1,3-thiazol-5-yl]ethanone has a molecular weight of 294.46 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-methylpiperidin-1-yl)ethyl]-4-propyl-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 82433152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).