ethyl 4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazine-1-carboxylate

C12H19N3O2S — CID 110710971

IUPACethyl 4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2nc(C)c(C)s2)CC1
InChIInChI=1S/C12H19N3O2S/c1-4-17-12(16)15-7-5-14(6-8-15)11-13-9(2)10(3)18-11/h4-8H2,1-3H3
InChIKeyOGBRLKLJIZSYDL-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.04
Rot. Bonds2

About ethyl 4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazine-1-carboxylate

ethyl 4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazine-1-carboxylate (PubChem CID 110710971) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is ethyl 4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazine-1-carboxylate
PubChem CID110710971
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Nameethyl 4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2nc(C)c(C)s2)CC1
InChIInChI=1S/C12H19N3O2S/c1-4-17-12(16)15-7-5-14(6-8-15)11-13-9(2)10(3)18-11/h4-8H2,1-3H3
InChIKeyOGBRLKLJIZSYDL-UHFFFAOYSA-N
XLogP2.04
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazine-1-carboxylate (CID 110710971) is ethyl 4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazine-1-carboxylate is CCOC(=O)N1CCN(c2nc(C)c(C)s2)CC1.
What is the InChIKey of ethyl 4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazine-1-carboxylate?
The InChIKey is OGBRLKLJIZSYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-4-17-12(16)15-7-5-14(6-8-15)11-13-9(2)10(3)18-11/h4-8H2,1-3H3.
What are the key properties of ethyl 4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazine-1-carboxylate?
ethyl 4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazine-1-carboxylate has a molecular weight of 269.37 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazine-1-carboxylate is sourced from PubChem (CID 110710971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).