ethyl 2-[2-[[2-[(3S)-3-(methoxymethyl)piperidin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate

C16H25N3O4S — CID 94920563

IUPACethyl 2-[2-[[2-[(3S)-3-(methoxymethyl)piperidin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)CN2CCC[C@H](COC)C2)n1
InChIInChI=1S/C16H25N3O4S/c1-3-23-15(21)7-13-11-24-16(17-13)18-14(20)9-19-6-4-5-12(8-19)10-22-2/h11-12H,3-10H2,1-2H3,(H,17,18,20)/t12-/m0/s1
InChIKeyIDEVMWJFVZDWSA-LBPRGKRZSA-N
MW355.46 g/mol
LogP1.55
Rot. Bonds8

About ethyl 2-[2-[[2-[(3S)-3-(methoxymethyl)piperidin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[[2-[(3S)-3-(methoxymethyl)piperidin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 94920563) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is ethyl 2-[2-[[2-[(3S)-3-(methoxymethyl)piperidin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[2-[(3S)-3-(methoxymethyl)piperidin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID94920563
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC Nameethyl 2-[2-[[2-[(3S)-3-(methoxymethyl)piperidin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)CN2CCC[C@H](COC)C2)n1
InChIInChI=1S/C16H25N3O4S/c1-3-23-15(21)7-13-11-24-16(17-13)18-14(20)9-19-6-4-5-12(8-19)10-22-2/h11-12H,3-10H2,1-2H3,(H,17,18,20)/t12-/m0/s1
InChIKeyIDEVMWJFVZDWSA-LBPRGKRZSA-N
XLogP1.55
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[2-[[2-[(3S)-3-(methoxymethyl)piperidin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate with MolForge

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Related Compounds

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ethyl 2-[2-[[2-(4-benzylpiperidin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate
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2-(3-aminopiperidin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride
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ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[2-[(3S)-3-(methoxymethyl)piperidin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[2-[(3S)-3-(methoxymethyl)piperidin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate (CID 94920563) is ethyl 2-[2-[[2-[(3S)-3-(methoxymethyl)piperidin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[2-[(3S)-3-(methoxymethyl)piperidin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[2-[(3S)-3-(methoxymethyl)piperidin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)CN2CCC[C@H](COC)C2)n1.
What is the InChIKey of ethyl 2-[2-[[2-[(3S)-3-(methoxymethyl)piperidin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is IDEVMWJFVZDWSA-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H25N3O4S/c1-3-23-15(21)7-13-11-24-16(17-13)18-14(20)9-19-6-4-5-12(8-19)10-22-2/h11-12H,3-10H2,1-2H3,(H,17,18,20)/t12-/m0/s1.
What are the key properties of ethyl 2-[2-[[2-[(3S)-3-(methoxymethyl)piperidin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[2-[(3S)-3-(methoxymethyl)piperidin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 355.46 g/mol, XLogP of 1.55, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[2-[(3S)-3-(methoxymethyl)piperidin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 94920563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).