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

C14H23N3O2S — CID 116526449

IUPACethyl 5-methyl-2-(4-propylpiperazin-1-yl)-1,3-thiazole-4-carboxylate
SMILESCCCN1CCN(c2nc(C(=O)OCC)c(C)s2)CC1
InChIInChI=1S/C14H23N3O2S/c1-4-6-16-7-9-17(10-8-16)14-15-12(11(3)20-14)13(18)19-5-2/h4-10H2,1-3H3
InChIKeyBQZPWWZCVJZLFB-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.16
Rot. Bonds5

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

ethyl 5-methyl-2-(4-propylpiperazin-1-yl)-1,3-thiazole-4-carboxylate (PubChem CID 116526449) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is ethyl 5-methyl-2-(4-propylpiperazin-1-yl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2-(4-propylpiperazin-1-yl)-1,3-thiazole-4-carboxylate
PubChem CID116526449
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Nameethyl 5-methyl-2-(4-propylpiperazin-1-yl)-1,3-thiazole-4-carboxylate
SMILESCCCN1CCN(c2nc(C(=O)OCC)c(C)s2)CC1
InChIInChI=1S/C14H23N3O2S/c1-4-6-16-7-9-17(10-8-16)14-15-12(11(3)20-14)13(18)19-5-2/h4-10H2,1-3H3
InChIKeyBQZPWWZCVJZLFB-UHFFFAOYSA-N
XLogP2.16
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-5-methyl-1,3-thiazole-4-carboxylate
CID 107226706
ethyl 2-(4-butan-2-ylpiperazin-1-yl)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526809
ethyl 5-methyl-2-(3,3,4-trimethylpiperazin-1-yl)-1,3-thiazole-4-carboxylate
CID 116526878
ethyl 5-methyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazole-4-carboxylate
CID 116526769
ethyl 5-chloro-2-piperidin-1-yl-1,3-thiazole-4-carboxylate
CID 97035612
ethyl 5-methyl-2-(2-methyl-3-oxopiperazin-1-yl)-1,3-thiazole-4-carboxylate
CID 116526883
methyl 2-(4-ethylazepan-1-yl)-5-methyl-1,3-thiazole-4-carboxylate
CID 113307228
methyl 2-(3-ethyl-4-methylpiperazin-1-yl)-5-methyl-1,3-thiazole-4-carboxylate
CID 115424528
ethyl 5-acetyl-2-(4-methyl-3-oxopiperazin-1-yl)-1,3-thiazole-4-carboxylate
CID 107377958
ethyl 5-methyl-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3-thiazole-4-carboxylate
CID 102887589
ethyl 5-methyl-2-propyl-1,3-thiazole-4-carboxylate
CID 116526179
ethyl 2-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-5-methyl-1,3-thiazole-4-carboxylate
CID 168507161

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2-(4-propylpiperazin-1-yl)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-methyl-2-(4-propylpiperazin-1-yl)-1,3-thiazole-4-carboxylate (CID 116526449) is ethyl 5-methyl-2-(4-propylpiperazin-1-yl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2-(4-propylpiperazin-1-yl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-methyl-2-(4-propylpiperazin-1-yl)-1,3-thiazole-4-carboxylate is CCCN1CCN(c2nc(C(=O)OCC)c(C)s2)CC1.
What is the InChIKey of ethyl 5-methyl-2-(4-propylpiperazin-1-yl)-1,3-thiazole-4-carboxylate?
The InChIKey is BQZPWWZCVJZLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-4-6-16-7-9-17(10-8-16)14-15-12(11(3)20-14)13(18)19-5-2/h4-10H2,1-3H3.
What are the key properties of ethyl 5-methyl-2-(4-propylpiperazin-1-yl)-1,3-thiazole-4-carboxylate?
ethyl 5-methyl-2-(4-propylpiperazin-1-yl)-1,3-thiazole-4-carboxylate has a molecular weight of 297.42 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-2-(4-propylpiperazin-1-yl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 116526449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).