ethyl 4-[2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetyl]piperazine-1-carboxylate

C15H24N4O3S — CID 110450872

IUPACethyl 4-[2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)Cc2csc(CCCN)n2)CC1
InChIInChI=1S/C15H24N4O3S/c1-2-22-15(21)19-8-6-18(7-9-19)14(20)10-12-11-23-13(17-12)4-3-5-16/h11H,2-10,16H2,1H3
InChIKeyXTTNLCUNLOJTFY-UHFFFAOYSA-N
MW340.45 g/mol
LogP0.88
Rot. Bonds6

About ethyl 4-[2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetyl]piperazine-1-carboxylate

ethyl 4-[2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetyl]piperazine-1-carboxylate (PubChem CID 110450872) has the molecular formula C15H24N4O3S and a molecular weight of 340.45 g/mol. Its IUPAC name is ethyl 4-[2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetyl]piperazine-1-carboxylate
PubChem CID110450872
Molecular FormulaC15H24N4O3S
Molecular Weight340.45 g/mol
Exact Mass340.16
IUPAC Nameethyl 4-[2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)Cc2csc(CCCN)n2)CC1
InChIInChI=1S/C15H24N4O3S/c1-2-22-15(21)19-8-6-18(7-9-19)14(20)10-12-11-23-13(17-12)4-3-5-16/h11H,2-10,16H2,1H3
InChIKeyXTTNLCUNLOJTFY-UHFFFAOYSA-N
XLogP0.88
TPSA88.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetate
CID 107380154
ethyl 4-[2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]acetyl]piperazine-1-carboxylate
CID 110450870
2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 110450611
methyl 1-[2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylate
CID 110450716
ethyl 2-[2-(4-aminobutyl)-1,3-thiazol-4-yl]acetate
CID 107380238
ethyl 4-[2-(2-pyrrol-1-yl-1,3-thiazol-4-yl)acetyl]piperazine-1-carboxylate
CID 71946830
ethyl 1-[2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylate
CID 110450854
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-1-(azepan-1-yl)ethanone
CID 82119937
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2-ethyl-1,3-thiazol-4-yl)ethanone
CID 119662595
2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-1-(4-pyrazol-1-ylpiperidin-1-yl)ethanone
CID 110450808
1-[2-[2-(2-aminoethyl)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylic acid
CID 82547566
2-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 110451007

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetyl]piperazine-1-carboxylate (CID 110450872) is ethyl 4-[2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)Cc2csc(CCCN)n2)CC1.
What is the InChIKey of ethyl 4-[2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetyl]piperazine-1-carboxylate?
The InChIKey is XTTNLCUNLOJTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3S/c1-2-22-15(21)19-8-6-18(7-9-19)14(20)10-12-11-23-13(17-12)4-3-5-16/h11H,2-10,16H2,1H3.
What are the key properties of ethyl 4-[2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetyl]piperazine-1-carboxylate?
ethyl 4-[2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetyl]piperazine-1-carboxylate has a molecular weight of 340.45 g/mol, XLogP of 0.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 110450872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).