(2R)-2-cyclobutyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxamide

C15H18N4O2S — CID 97185180

IUPAC(2R)-2-cyclobutyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1nnc(-c2ccco2)s1)N1CCC[C@@H]1C1CCC1
InChIInChI=1S/C15H18N4O2S/c20-15(19-8-2-6-11(19)10-4-1-5-10)16-14-18-17-13(22-14)12-7-3-9-21-12/h3,7,9-11H,1-2,4-6,8H2,(H,16,18,20)/t11-/m1/s1
InChIKeyRYGGNUXACOBNIC-LLVKDONJSA-N
MW318.40 g/mol
LogP3.59
Rot. Bonds3

About (2R)-2-cyclobutyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxamide

(2R)-2-cyclobutyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxamide (PubChem CID 97185180) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is (2R)-2-cyclobutyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-cyclobutyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxamide
PubChem CID97185180
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name(2R)-2-cyclobutyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1nnc(-c2ccco2)s1)N1CCC[C@@H]1C1CCC1
InChIInChI=1S/C15H18N4O2S/c20-15(19-8-2-6-11(19)10-4-1-5-10)16-14-18-17-13(22-14)12-7-3-9-21-12/h3,7,9-11H,1-2,4-6,8H2,(H,16,18,20)/t11-/m1/s1
InChIKeyRYGGNUXACOBNIC-LLVKDONJSA-N
XLogP3.59
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclobutyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-2-cyclobutyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxamide (CID 97185180) is (2R)-2-cyclobutyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-2-cyclobutyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-2-cyclobutyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxamide is O=C(Nc1nnc(-c2ccco2)s1)N1CCC[C@@H]1C1CCC1.
What is the InChIKey of (2R)-2-cyclobutyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxamide?
The InChIKey is RYGGNUXACOBNIC-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18N4O2S/c20-15(19-8-2-6-11(19)10-4-1-5-10)16-14-18-17-13(22-14)12-7-3-9-21-12/h3,7,9-11H,1-2,4-6,8H2,(H,16,18,20)/t11-/m1/s1.
What are the key properties of (2R)-2-cyclobutyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxamide?
(2R)-2-cyclobutyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclobutyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 97185180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).