ethyl 4-(1,2,5-thiadiazole-3-carbonyl)piperazine-1-carboxylate

C10H14N4O3S — CID 900727

IUPACethyl 4-(1,2,5-thiadiazole-3-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cnsn2)CC1
InChIInChI=1S/C10H14N4O3S/c1-2-17-10(16)14-5-3-13(4-6-14)9(15)8-7-11-18-12-8/h7H,2-6H2,1H3
InChIKeyZRMKGEWKAQYBII-UHFFFAOYSA-N
MW270.31 g/mol
LogP0.45
Rot. Bonds2

About ethyl 4-(1,2,5-thiadiazole-3-carbonyl)piperazine-1-carboxylate

ethyl 4-(1,2,5-thiadiazole-3-carbonyl)piperazine-1-carboxylate (PubChem CID 900727) has the molecular formula C10H14N4O3S and a molecular weight of 270.31 g/mol. Its IUPAC name is ethyl 4-(1,2,5-thiadiazole-3-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(1,2,5-thiadiazole-3-carbonyl)piperazine-1-carboxylate
PubChem CID900727
Molecular FormulaC10H14N4O3S
Molecular Weight270.31 g/mol
Exact Mass270.08
IUPAC Nameethyl 4-(1,2,5-thiadiazole-3-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cnsn2)CC1
InChIInChI=1S/C10H14N4O3S/c1-2-17-10(16)14-5-3-13(4-6-14)9(15)8-7-11-18-12-8/h7H,2-6H2,1H3
InChIKeyZRMKGEWKAQYBII-UHFFFAOYSA-N
XLogP0.45
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(1,2,5-thiadiazole-3-carbonyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(1,2,5-thiadiazole-3-carbonyl)piperazine-1-carboxylate (CID 900727) is ethyl 4-(1,2,5-thiadiazole-3-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(1,2,5-thiadiazole-3-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(1,2,5-thiadiazole-3-carbonyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2cnsn2)CC1.
What is the InChIKey of ethyl 4-(1,2,5-thiadiazole-3-carbonyl)piperazine-1-carboxylate?
The InChIKey is ZRMKGEWKAQYBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3S/c1-2-17-10(16)14-5-3-13(4-6-14)9(15)8-7-11-18-12-8/h7H,2-6H2,1H3.
What are the key properties of ethyl 4-(1,2,5-thiadiazole-3-carbonyl)piperazine-1-carboxylate?
ethyl 4-(1,2,5-thiadiazole-3-carbonyl)piperazine-1-carboxylate has a molecular weight of 270.31 g/mol, XLogP of 0.45, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(1,2,5-thiadiazole-3-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 900727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).