ethyl 2-[2-[[2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate

C20H29N5O3S — CID 90495530

IUPACethyl 2-[2-[[2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)CN2CCC(Cn3nc(C)cc3C)CC2)n1
InChIInChI=1S/C20H29N5O3S/c1-4-28-19(27)10-17-13-29-20(21-17)22-18(26)12-24-7-5-16(6-8-24)11-25-15(3)9-14(2)23-25/h9,13,16H,4-8,10-12H2,1-3H3,(H,21,22,26)
InChIKeyONPWRTMYEPSHBS-UHFFFAOYSA-N
MW419.55 g/mol
LogP2.41
Rot. Bonds8

About ethyl 2-[2-[[2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[[2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 90495530) has the molecular formula C20H29N5O3S and a molecular weight of 419.55 g/mol. Its IUPAC name is ethyl 2-[2-[[2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID90495530
Molecular FormulaC20H29N5O3S
Molecular Weight419.55 g/mol
Exact Mass419.20
IUPAC Nameethyl 2-[2-[[2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)CN2CCC(Cn3nc(C)cc3C)CC2)n1
InChIInChI=1S/C20H29N5O3S/c1-4-28-19(27)10-17-13-29-20(21-17)22-18(26)12-24-7-5-16(6-8-24)11-25-15(3)9-14(2)23-25/h9,13,16H,4-8,10-12H2,1-3H3,(H,21,22,26)
InChIKeyONPWRTMYEPSHBS-UHFFFAOYSA-N
XLogP2.41
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[2-[[2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate with MolForge

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Related Compounds

ethyl 2-[2-[[2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 90495341
ethyl 2-[2-[[2-(4-benzylpiperidin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 22198118
2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 90495488
ethyl 2-[2-[[2-[(3S)-3-(methoxymethyl)piperidin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 94920563
ethyl 2-[2-[[2-(5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 19521289
ethyl 2-[[2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetyl]amino]benzoate
CID 90495468
ethyl 2-[2-[[2-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 90561837
N-cyclopropyl-2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90495505
ethyl 2-[2-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 22199720
ethyl 2-[2-[[2-(thian-4-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 80710853
ethyl 2-[2-(3-pyrrolidin-1-ylpropanoylamino)-1,3-thiazol-4-yl]acetate
CID 101012113
ethyl 2-[2-[[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 41376383

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate (CID 90495530) is ethyl 2-[2-[[2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)CN2CCC(Cn3nc(C)cc3C)CC2)n1.
What is the InChIKey of ethyl 2-[2-[[2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is ONPWRTMYEPSHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O3S/c1-4-28-19(27)10-17-13-29-20(21-17)22-18(26)12-24-7-5-16(6-8-24)11-25-15(3)9-14(2)23-25/h9,13,16H,4-8,10-12H2,1-3H3,(H,21,22,26).
What are the key properties of ethyl 2-[2-[[2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 419.55 g/mol, XLogP of 2.41, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 90495530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).