N-(2-morpholin-4-ylethyl)-5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide

C16H25N5O3S — CID 154819153

IUPACN-(2-morpholin-4-ylethyl)-5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
SMILESCC(C)c1nnc(N2CC(C(=O)NCCN3CCOCC3)CC2=O)s1
InChIInChI=1S/C16H25N5O3S/c1-11(2)15-18-19-16(25-15)21-10-12(9-13(21)22)14(23)17-3-4-20-5-7-24-8-6-20/h11-12H,3-10H2,1-2H3,(H,17,23)
InChIKeyUKEUKYRPBVKPIL-UHFFFAOYSA-N
MW367.48 g/mol
LogP0.46
Rot. Bonds6

About N-(2-morpholin-4-ylethyl)-5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide

N-(2-morpholin-4-ylethyl)-5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide (PubChem CID 154819153) has the molecular formula C16H25N5O3S and a molecular weight of 367.48 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
PubChem CID154819153
Molecular FormulaC16H25N5O3S
Molecular Weight367.48 g/mol
Exact Mass367.17
IUPAC NameN-(2-morpholin-4-ylethyl)-5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
SMILESCC(C)c1nnc(N2CC(C(=O)NCCN3CCOCC3)CC2=O)s1
InChIInChI=1S/C16H25N5O3S/c1-11(2)15-18-19-16(25-15)21-10-12(9-13(21)22)14(23)17-3-4-20-5-7-24-8-6-20/h11-12H,3-10H2,1-2H3,(H,17,23)
InChIKeyUKEUKYRPBVKPIL-UHFFFAOYSA-N
XLogP0.46
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide (CID 154819153) is N-(2-morpholin-4-ylethyl)-5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide is CC(C)c1nnc(N2CC(C(=O)NCCN3CCOCC3)CC2=O)s1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is UKEUKYRPBVKPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O3S/c1-11(2)15-18-19-16(25-15)21-10-12(9-13(21)22)14(23)17-3-4-20-5-7-24-8-6-20/h11-12H,3-10H2,1-2H3,(H,17,23).
What are the key properties of N-(2-morpholin-4-ylethyl)-5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?
N-(2-morpholin-4-ylethyl)-5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 367.48 g/mol, XLogP of 0.46, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 154819153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).