ethyl 4-[4-(4-methoxyphenyl)thiadiazole-5-carbonyl]piperazine-1-carboxylate

C17H20N4O4S — CID 45494518

IUPACethyl 4-[4-(4-methoxyphenyl)thiadiazole-5-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2snnc2-c2ccc(OC)cc2)CC1
InChIInChI=1S/C17H20N4O4S/c1-3-25-17(23)21-10-8-20(9-11-21)16(22)15-14(18-19-26-15)12-4-6-13(24-2)7-5-12/h4-7H,3,8-11H2,1-2H3
InChIKeyRGIOSXSNSAQPSA-UHFFFAOYSA-N
MW376.44 g/mol
LogP2.13
Rot. Bonds4

About ethyl 4-[4-(4-methoxyphenyl)thiadiazole-5-carbonyl]piperazine-1-carboxylate

ethyl 4-[4-(4-methoxyphenyl)thiadiazole-5-carbonyl]piperazine-1-carboxylate (PubChem CID 45494518) has the molecular formula C17H20N4O4S and a molecular weight of 376.44 g/mol. Its IUPAC name is ethyl 4-[4-(4-methoxyphenyl)thiadiazole-5-carbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-(4-methoxyphenyl)thiadiazole-5-carbonyl]piperazine-1-carboxylate
PubChem CID45494518
Molecular FormulaC17H20N4O4S
Molecular Weight376.44 g/mol
Exact Mass376.12
IUPAC Nameethyl 4-[4-(4-methoxyphenyl)thiadiazole-5-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2snnc2-c2ccc(OC)cc2)CC1
InChIInChI=1S/C17H20N4O4S/c1-3-25-17(23)21-10-8-20(9-11-21)16(22)15-14(18-19-26-15)12-4-6-13(24-2)7-5-12/h4-7H,3,8-11H2,1-2H3
InChIKeyRGIOSXSNSAQPSA-UHFFFAOYSA-N
XLogP2.13
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(4-methoxyphenyl)thiadiazole-5-carbonyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[4-(4-methoxyphenyl)thiadiazole-5-carbonyl]piperazine-1-carboxylate (CID 45494518) is ethyl 4-[4-(4-methoxyphenyl)thiadiazole-5-carbonyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[4-(4-methoxyphenyl)thiadiazole-5-carbonyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[4-(4-methoxyphenyl)thiadiazole-5-carbonyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2snnc2-c2ccc(OC)cc2)CC1.
What is the InChIKey of ethyl 4-[4-(4-methoxyphenyl)thiadiazole-5-carbonyl]piperazine-1-carboxylate?
The InChIKey is RGIOSXSNSAQPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4S/c1-3-25-17(23)21-10-8-20(9-11-21)16(22)15-14(18-19-26-15)12-4-6-13(24-2)7-5-12/h4-7H,3,8-11H2,1-2H3.
What are the key properties of ethyl 4-[4-(4-methoxyphenyl)thiadiazole-5-carbonyl]piperazine-1-carboxylate?
ethyl 4-[4-(4-methoxyphenyl)thiadiazole-5-carbonyl]piperazine-1-carboxylate has a molecular weight of 376.44 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-(4-methoxyphenyl)thiadiazole-5-carbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 45494518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).