ethyl 2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylate

C12H18N4O3S — CID 43926612

IUPACethyl 2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylate
SMILESCCOC(=O)N1CCCC1C(=O)Nc1nnc(CC)s1
InChIInChI=1S/C12H18N4O3S/c1-3-9-14-15-11(20-9)13-10(17)8-6-5-7-16(8)12(18)19-4-2/h8H,3-7H2,1-2H3,(H,13,15,17)
InChIKeyRWHAXIGVXQDIBZ-UHFFFAOYSA-N
MW298.37 g/mol
LogP1.66
Rot. Bonds4

About ethyl 2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylate

ethyl 2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylate (PubChem CID 43926612) has the molecular formula C12H18N4O3S and a molecular weight of 298.37 g/mol. Its IUPAC name is ethyl 2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylate
PubChem CID43926612
Molecular FormulaC12H18N4O3S
Molecular Weight298.37 g/mol
Exact Mass298.11
IUPAC Nameethyl 2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylate
SMILESCCOC(=O)N1CCCC1C(=O)Nc1nnc(CC)s1
InChIInChI=1S/C12H18N4O3S/c1-3-9-14-15-11(20-9)13-10(17)8-6-5-7-16(8)12(18)19-4-2/h8H,3-7H2,1-2H3,(H,13,15,17)
InChIKeyRWHAXIGVXQDIBZ-UHFFFAOYSA-N
XLogP1.66
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylate?
The IUPAC name of ethyl 2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylate (CID 43926612) is ethyl 2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for ethyl 2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylate?
The canonical SMILES for ethyl 2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylate is CCOC(=O)N1CCCC1C(=O)Nc1nnc(CC)s1.
What is the InChIKey of ethyl 2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylate?
The InChIKey is RWHAXIGVXQDIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3S/c1-3-9-14-15-11(20-9)13-10(17)8-6-5-7-16(8)12(18)19-4-2/h8H,3-7H2,1-2H3,(H,13,15,17).
What are the key properties of ethyl 2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylate?
ethyl 2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylate has a molecular weight of 298.37 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 43926612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).