ethyl 1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-4-(2-methoxyethyl)piperidine-4-carboxylate

C17H29N3O3S — CID 25380510

IUPACethyl 1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-4-(2-methoxyethyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1(CCOC)CCN(Cc2cnc(N(C)C)s2)CC1
InChIInChI=1S/C17H29N3O3S/c1-5-23-15(21)17(8-11-22-4)6-9-20(10-7-17)13-14-12-18-16(24-14)19(2)3/h12H,5-11,13H2,1-4H3
InChIKeyHSRZZEIKKPFHSS-UHFFFAOYSA-N
MW355.50 g/mol
LogP2.39
Rot. Bonds8

About ethyl 1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-4-(2-methoxyethyl)piperidine-4-carboxylate

ethyl 1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-4-(2-methoxyethyl)piperidine-4-carboxylate (PubChem CID 25380510) has the molecular formula C17H29N3O3S and a molecular weight of 355.50 g/mol. Its IUPAC name is ethyl 1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-4-(2-methoxyethyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-4-(2-methoxyethyl)piperidine-4-carboxylate
PubChem CID25380510
Molecular FormulaC17H29N3O3S
Molecular Weight355.50 g/mol
Exact Mass355.19
IUPAC Nameethyl 1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-4-(2-methoxyethyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1(CCOC)CCN(Cc2cnc(N(C)C)s2)CC1
InChIInChI=1S/C17H29N3O3S/c1-5-23-15(21)17(8-11-22-4)6-9-20(10-7-17)13-14-12-18-16(24-14)19(2)3/h12H,5-11,13H2,1-4H3
InChIKeyHSRZZEIKKPFHSS-UHFFFAOYSA-N
XLogP2.39
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.50
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 5078470
CID 5078470
CID 6919349
CID 6919349
CID 79760633
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CID 79772196
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CID 79772286
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CID 79772376
CID 79772376

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-4-(2-methoxyethyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-4-(2-methoxyethyl)piperidine-4-carboxylate (CID 25380510) is ethyl 1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-4-(2-methoxyethyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-4-(2-methoxyethyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-4-(2-methoxyethyl)piperidine-4-carboxylate is CCOC(=O)C1(CCOC)CCN(Cc2cnc(N(C)C)s2)CC1.
What is the InChIKey of ethyl 1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-4-(2-methoxyethyl)piperidine-4-carboxylate?
The InChIKey is HSRZZEIKKPFHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3S/c1-5-23-15(21)17(8-11-22-4)6-9-20(10-7-17)13-14-12-18-16(24-14)19(2)3/h12H,5-11,13H2,1-4H3.
What are the key properties of ethyl 1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-4-(2-methoxyethyl)piperidine-4-carboxylate?
ethyl 1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-4-(2-methoxyethyl)piperidine-4-carboxylate has a molecular weight of 355.50 g/mol, XLogP of 2.39, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-4-(2-methoxyethyl)piperidine-4-carboxylate is sourced from PubChem (CID 25380510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).