ethyl 4-(1,3-thiazol-2-yl)piperazine-1-carboxylate

C10H15N3O2S — CID 22122372

IUPACethyl 4-(1,3-thiazol-2-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C10H15N3O2S/c1-2-15-10(14)13-6-4-12(5-7-13)9-11-3-8-16-9/h3,8H,2,4-7H2,1H3
InChIKeyNIHNHQSHWATODP-UHFFFAOYSA-N
MW241.32 g/mol
LogP1.42
Rot. Bonds2

About ethyl 4-(1,3-thiazol-2-yl)piperazine-1-carboxylate

ethyl 4-(1,3-thiazol-2-yl)piperazine-1-carboxylate (PubChem CID 22122372) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is ethyl 4-(1,3-thiazol-2-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(1,3-thiazol-2-yl)piperazine-1-carboxylate
PubChem CID22122372
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Nameethyl 4-(1,3-thiazol-2-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C10H15N3O2S/c1-2-15-10(14)13-6-4-12(5-7-13)9-11-3-8-16-9/h3,8H,2,4-7H2,1H3
InChIKeyNIHNHQSHWATODP-UHFFFAOYSA-N
XLogP1.42
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(1,3-Thiazol-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 71522599
1-Piperazinecarboxamide, N-((dimethylamino)carbonyl)-N-methyl-4-(2-thiazolyl)-
CID 3066971
4-(Thiazol-2-ylcarbamoylmethyl)-piperazine-1-carboxylic acid ethyl ester
CID 6498214
Methyl [4-(1,3-thiazol-2-yl)piperazin-1-yl]acetate
CID 28880817
2,2,2-Trifluoro-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 62646443
2,2,2-Trifluoroethyl 4-(1,3-thiazol-2-yl)piperazine-1-carboxylate
CID 65173483
2,2,2-Trifluoroacetic acid;2,2,2-trifluoro-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 162160425
tert-butyl N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]carbamate
CID 72134982
1-Methyl-4-(1,3-thiazol-2-yl)piperazine
CID 10130248
1-[4-(1,3-Thiazol-2-yl)piperazin-1-yl]prop-2-yn-1-one
CID 11615486
1-[4-(1,3-Thiazol-2-yl)piperazin-1-yl]oct-2-yn-1-one
CID 11680860
2,2-Dimethylpropyl 4-(1,3-thiazol-2-yl)piperazine-1-carboxylate
CID 11992511

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(1,3-thiazol-2-yl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(1,3-thiazol-2-yl)piperazine-1-carboxylate (CID 22122372) is ethyl 4-(1,3-thiazol-2-yl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(1,3-thiazol-2-yl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(1,3-thiazol-2-yl)piperazine-1-carboxylate is CCOC(=O)N1CCN(c2nccs2)CC1.
What is the InChIKey of ethyl 4-(1,3-thiazol-2-yl)piperazine-1-carboxylate?
The InChIKey is NIHNHQSHWATODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-2-15-10(14)13-6-4-12(5-7-13)9-11-3-8-16-9/h3,8H,2,4-7H2,1H3.
What are the key properties of ethyl 4-(1,3-thiazol-2-yl)piperazine-1-carboxylate?
ethyl 4-(1,3-thiazol-2-yl)piperazine-1-carboxylate has a molecular weight of 241.32 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(1,3-thiazol-2-yl)piperazine-1-carboxylate is sourced from PubChem (CID 22122372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).