methyl 2-(1-acetylpiperidin-3-yl)-4-ethyl-1,3-thiazole-5-carboxylate

C14H20N2O3S — CID 122150191

IUPACmethyl 2-(1-acetylpiperidin-3-yl)-4-ethyl-1,3-thiazole-5-carboxylate
SMILESCCc1nc(C2CCCN(C(C)=O)C2)sc1C(=O)OC
InChIInChI=1S/C14H20N2O3S/c1-4-11-12(14(18)19-3)20-13(15-11)10-6-5-7-16(8-10)9(2)17/h10H,4-8H2,1-3H3
InChIKeyVPXBLMFLENGVPD-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.22
Rot. Bonds3

About methyl 2-(1-acetylpiperidin-3-yl)-4-ethyl-1,3-thiazole-5-carboxylate

methyl 2-(1-acetylpiperidin-3-yl)-4-ethyl-1,3-thiazole-5-carboxylate (PubChem CID 122150191) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is methyl 2-(1-acetylpiperidin-3-yl)-4-ethyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(1-acetylpiperidin-3-yl)-4-ethyl-1,3-thiazole-5-carboxylate
PubChem CID122150191
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Namemethyl 2-(1-acetylpiperidin-3-yl)-4-ethyl-1,3-thiazole-5-carboxylate
SMILESCCc1nc(C2CCCN(C(C)=O)C2)sc1C(=O)OC
InChIInChI=1S/C14H20N2O3S/c1-4-11-12(14(18)19-3)20-13(15-11)10-6-5-7-16(8-10)9(2)17/h10H,4-8H2,1-3H3
InChIKeyVPXBLMFLENGVPD-UHFFFAOYSA-N
XLogP2.22
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 53016829
1-[(3R)-3-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]ethanone
CID 51867849
2-(1-ethylpiperidin-3-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 91811972
2-(1,1-dioxothiolan-3-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 104838235
ethyl 2-cyclopropyl-4-(hydroxymethyl)-1,3-thiazole-5-carboxylate
CID 163219311
4-ethyl-2-(4-propan-2-ylcyclohexyl)-1,3-thiazole-5-carboxylic acid
CID 104838461
2-cyclohexyl-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 114360064
5-[1-[(2-ethylphenyl)carbamoyl]piperidin-3-yl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46375827
1-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 53016835
5-[1-(ethylcarbamoyl)piperidin-3-yl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46375849
1-[3-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone
CID 122146920
2-cyclooctyl-4-propyl-1,3-thiazole-5-carboxylic acid
CID 114359658

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-acetylpiperidin-3-yl)-4-ethyl-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-(1-acetylpiperidin-3-yl)-4-ethyl-1,3-thiazole-5-carboxylate (CID 122150191) is methyl 2-(1-acetylpiperidin-3-yl)-4-ethyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-(1-acetylpiperidin-3-yl)-4-ethyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-(1-acetylpiperidin-3-yl)-4-ethyl-1,3-thiazole-5-carboxylate is CCc1nc(C2CCCN(C(C)=O)C2)sc1C(=O)OC.
What is the InChIKey of methyl 2-(1-acetylpiperidin-3-yl)-4-ethyl-1,3-thiazole-5-carboxylate?
The InChIKey is VPXBLMFLENGVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-4-11-12(14(18)19-3)20-13(15-11)10-6-5-7-16(8-10)9(2)17/h10H,4-8H2,1-3H3.
What are the key properties of methyl 2-(1-acetylpiperidin-3-yl)-4-ethyl-1,3-thiazole-5-carboxylate?
methyl 2-(1-acetylpiperidin-3-yl)-4-ethyl-1,3-thiazole-5-carboxylate has a molecular weight of 296.39 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-acetylpiperidin-3-yl)-4-ethyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 122150191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).