ethyl 5-(4-acetylpiperazin-1-yl)-3-amino-1,2-thiazole-4-carboxylate

C12H18N4O3S — CID 103381006

IUPACethyl 5-(4-acetylpiperazin-1-yl)-3-amino-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(N)nsc1N1CCN(C(C)=O)CC1
InChIInChI=1S/C12H18N4O3S/c1-3-19-12(18)9-10(13)14-20-11(9)16-6-4-15(5-7-16)8(2)17/h3-7H2,1-2H3,(H2,13,14)
InChIKeyFBWJFOJRQLJFQQ-UHFFFAOYSA-N
MW298.37 g/mol
LogP0.57
Rot. Bonds3

About ethyl 5-(4-acetylpiperazin-1-yl)-3-amino-1,2-thiazole-4-carboxylate

ethyl 5-(4-acetylpiperazin-1-yl)-3-amino-1,2-thiazole-4-carboxylate (PubChem CID 103381006) has the molecular formula C12H18N4O3S and a molecular weight of 298.37 g/mol. Its IUPAC name is ethyl 5-(4-acetylpiperazin-1-yl)-3-amino-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-acetylpiperazin-1-yl)-3-amino-1,2-thiazole-4-carboxylate
PubChem CID103381006
Molecular FormulaC12H18N4O3S
Molecular Weight298.37 g/mol
Exact Mass298.11
IUPAC Nameethyl 5-(4-acetylpiperazin-1-yl)-3-amino-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(N)nsc1N1CCN(C(C)=O)CC1
InChIInChI=1S/C12H18N4O3S/c1-3-19-12(18)9-10(13)14-20-11(9)16-6-4-15(5-7-16)8(2)17/h3-7H2,1-2H3,(H2,13,14)
InChIKeyFBWJFOJRQLJFQQ-UHFFFAOYSA-N
XLogP0.57
TPSA88.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(4-acetylpiperazin-1-yl)-3-amino-1,2-thiazole-4-carboxamide
CID 103381005
ethyl 3-amino-5-(3,3,4-trimethylpiperazin-1-yl)-1,2-thiazole-4-carboxylate
CID 103381876
ethyl 3-amino-5-(3-hydroxy-4-methylpiperidin-1-yl)-1,2-thiazole-4-carboxylate
CID 103384722
ethyl 3-amino-5-[3-(diethylamino)pyrrolidin-1-yl]-1,2-thiazole-4-carboxylate
CID 103381790
ethyl 3-amino-5-(2-methyl-1,4-oxazepan-4-yl)-1,2-thiazole-4-carboxylate
CID 103381673
5-(4-acetylpiperazin-1-yl)-3-amino-N-cyclopropyl-1,2-thiazole-4-carboxamide
CID 103381010
methyl 3-amino-5-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2-thiazole-4-carboxylate
CID 103380879
3-amino-5-(4-ethylpiperazin-1-yl)-1,2-thiazole-4-carboxamide
CID 103381043
ethyl 3-amino-5-(2,3-dimethylpiperidin-1-yl)-1,2-thiazole-4-carboxylate
CID 103379602
ethyl 5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-amino-1,2-thiazole-4-carboxylate
CID 103380742
methyl 3-amino-5-(4-hydroxypiperidin-1-yl)-1,2-thiazole-4-carboxylate
CID 103381026
3-amino-5-(4-ethylpiperidin-1-yl)-1,2-thiazole-4-carboxamide
CID 103380794

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-acetylpiperazin-1-yl)-3-amino-1,2-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-(4-acetylpiperazin-1-yl)-3-amino-1,2-thiazole-4-carboxylate (CID 103381006) is ethyl 5-(4-acetylpiperazin-1-yl)-3-amino-1,2-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(4-acetylpiperazin-1-yl)-3-amino-1,2-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-(4-acetylpiperazin-1-yl)-3-amino-1,2-thiazole-4-carboxylate is CCOC(=O)c1c(N)nsc1N1CCN(C(C)=O)CC1.
What is the InChIKey of ethyl 5-(4-acetylpiperazin-1-yl)-3-amino-1,2-thiazole-4-carboxylate?
The InChIKey is FBWJFOJRQLJFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3S/c1-3-19-12(18)9-10(13)14-20-11(9)16-6-4-15(5-7-16)8(2)17/h3-7H2,1-2H3,(H2,13,14).
What are the key properties of ethyl 5-(4-acetylpiperazin-1-yl)-3-amino-1,2-thiazole-4-carboxylate?
ethyl 5-(4-acetylpiperazin-1-yl)-3-amino-1,2-thiazole-4-carboxylate has a molecular weight of 298.37 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-acetylpiperazin-1-yl)-3-amino-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 103381006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).