ethyl 2-[[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]methyl]-4-methyl-1,3-thiazole-5-carboxylate

C18H30N4O3S — CID 9423245

IUPACethyl 2-[[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]methyl]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(CN2CCN(CC(=O)NC(C)(C)C)CC2)nc1C
InChIInChI=1S/C18H30N4O3S/c1-6-25-17(24)16-13(2)19-15(26-16)12-22-9-7-21(8-10-22)11-14(23)20-18(3,4)5/h6-12H2,1-5H3,(H,20,23)
InChIKeySWLNRSNFAZWXNL-UHFFFAOYSA-N
MW382.53 g/mol
LogP1.66
Rot. Bonds6

About ethyl 2-[[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]methyl]-4-methyl-1,3-thiazole-5-carboxylate

ethyl 2-[[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]methyl]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 9423245) has the molecular formula C18H30N4O3S and a molecular weight of 382.53 g/mol. Its IUPAC name is ethyl 2-[[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]methyl]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]methyl]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID9423245
Molecular FormulaC18H30N4O3S
Molecular Weight382.53 g/mol
Exact Mass382.20
IUPAC Nameethyl 2-[[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]methyl]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(CN2CCN(CC(=O)NC(C)(C)C)CC2)nc1C
InChIInChI=1S/C18H30N4O3S/c1-6-25-17(24)16-13(2)19-15(26-16)12-22-9-7-21(8-10-22)11-14(23)20-18(3,4)5/h6-12H2,1-5H3,(H,20,23)
InChIKeySWLNRSNFAZWXNL-UHFFFAOYSA-N
XLogP1.66
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]methyl]-4-methyl-1,3-thiazole-5-carboxylate with MolForge

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Related Compounds

2-[[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 9423231
N-tert-butyl-2-[4-[[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide
CID 9423309
ethyl 2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 15642023
ethyl 2-[[2-[4-(furan-2-ylmethyl)piperazin-1-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 22195981
ethyl 4-methyl-2-propyl-1,3-thiazole-5-carboxylate
CID 70144784
ethyl 3-[[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepan-1-yl]methyl]-1-benzofuran-2-carboxylate
CID 9131219
ethyl 4-[[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carbonyl]amino]piperidine-1-carboxylate
CID 110387107
ethyl 2-[[2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 17278379
ethyl 4-[[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carbonyl]amino]piperidine-1-carboxylate
CID 110387370
ethyl 4-(3-methoxypropylamino)-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxylate
CID 58804970
2-[4-[2-(tert-butylamino)-2-oxoethyl]-7-(carboxymethyl)-1,4,7-triazonan-1-yl]acetic acid
CID 155097087
N-tert-butyl-2-[4-(2-tert-butyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]acetamide
CID 24641890

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]methyl]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]methyl]-4-methyl-1,3-thiazole-5-carboxylate (CID 9423245) is ethyl 2-[[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]methyl]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]methyl]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]methyl]-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(CN2CCN(CC(=O)NC(C)(C)C)CC2)nc1C.
What is the InChIKey of ethyl 2-[[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]methyl]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is SWLNRSNFAZWXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O3S/c1-6-25-17(24)16-13(2)19-15(26-16)12-22-9-7-21(8-10-22)11-14(23)20-18(3,4)5/h6-12H2,1-5H3,(H,20,23).
What are the key properties of ethyl 2-[[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]methyl]-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-[[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]methyl]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 382.53 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]methyl]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 9423245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).