5-[2-(furan-2-yl)ethyl]-N-[5-oxo-1-[4-(piperidin-1-ylmethyl)phenyl]pyrrolidin-3-yl]-1,3,4-thiadiazole-2-carboxamide

C25H29N5O3S — CID 122445837

IUPAC5-[2-(furan-2-yl)ethyl]-N-[5-oxo-1-[4-(piperidin-1-ylmethyl)phenyl]pyrrolidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(NC1CC(=O)N(c2ccc(CN3CCCCC3)cc2)C1)c1nnc(CCc2ccco2)s1
InChIInChI=1S/C25H29N5O3S/c31-23-15-19(26-24(32)25-28-27-22(34-25)11-10-21-5-4-14-33-21)17-30(23)20-8-6-18(7-9-20)16-29-12-2-1-3-13-29/h4-9,14,19H,1-3,10-13,15-17H2,(H,26,32)
InChIKeyPPTXDUSMYKQDEK-UHFFFAOYSA-N
MW479.61 g/mol
LogP3.44
Rot. Bonds8

About 5-[2-(furan-2-yl)ethyl]-N-[5-oxo-1-[4-(piperidin-1-ylmethyl)phenyl]pyrrolidin-3-yl]-1,3,4-thiadiazole-2-carboxamide

5-[2-(furan-2-yl)ethyl]-N-[5-oxo-1-[4-(piperidin-1-ylmethyl)phenyl]pyrrolidin-3-yl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 122445837) has the molecular formula C25H29N5O3S and a molecular weight of 479.61 g/mol. Its IUPAC name is 5-[2-(furan-2-yl)ethyl]-N-[5-oxo-1-[4-(piperidin-1-ylmethyl)phenyl]pyrrolidin-3-yl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[2-(furan-2-yl)ethyl]-N-[5-oxo-1-[4-(piperidin-1-ylmethyl)phenyl]pyrrolidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID122445837
Molecular FormulaC25H29N5O3S
Molecular Weight479.61 g/mol
Exact Mass479.20
IUPAC Name5-[2-(furan-2-yl)ethyl]-N-[5-oxo-1-[4-(piperidin-1-ylmethyl)phenyl]pyrrolidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(NC1CC(=O)N(c2ccc(CN3CCCCC3)cc2)C1)c1nnc(CCc2ccco2)s1
InChIInChI=1S/C25H29N5O3S/c31-23-15-19(26-24(32)25-28-27-22(34-25)11-10-21-5-4-14-33-21)17-30(23)20-8-6-18(7-9-20)16-29-12-2-1-3-13-29/h4-9,14,19H,1-3,10-13,15-17H2,(H,26,32)
InChIKeyPPTXDUSMYKQDEK-UHFFFAOYSA-N
XLogP3.44
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.61
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-oxo-1-[4-(piperidin-1-ylmethyl)phenyl]pyrrolidin-3-yl]-5-(2-phenylethyl)-1,3,4-thiadiazole-2-carboxamide
CID 122445905
5-[2-(4-chlorophenyl)ethyl]-N-[(3R)-5-oxo-1-[4-(piperidin-1-ylmethyl)phenyl]pyrrolidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 134190332
N-[1-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-5-oxopyrrolidin-3-yl]-5-[2-(4-chlorophenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 139538614
5-[2-(4-chlorophenyl)ethyl]-N-[1-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 122445903
5-[2-(furan-2-yl)ethyl]-3-[5-oxo-1-[4-(piperidin-1-ylmethyl)phenyl]pyrrolidin-3-yl]-2H-1,3,4-thiadiazole-2-carboxamide
CID 138540781
4-[2-[5-[2-(4-chlorophenyl)ethyl]-1,3,4-thiadiazol-2-yl]-2-oxoethyl]-1-[4-(morpholin-4-ylmethyl)phenyl]pyrrolidin-2-one
CID 152873274
5-oxo-1-[4-(piperidin-1-ylmethyl)phenyl]pyrrolidine-3-carboxylic acid
CID 122445928
1-(furan-2-ylmethyl)-N-[(3S)-1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]piperidine-4-carboxamide
CID 97205093
4-benzyl-N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
CID 7547868
(3S)-N-[5-[2-(4-chlorophenyl)ethyl]-1,3,4-thiadiazol-2-yl]-1-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 122445895
N-[5-[2-(4-chlorophenyl)ethyl]-1,3,4-thiadiazol-2-yl]-5-oxo-1-[4-(piperazin-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide;methane
CID 161234104
N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]furan-2-carboxamide
CID 7255751

Frequently Asked Questions

What is the IUPAC name of 5-[2-(furan-2-yl)ethyl]-N-[5-oxo-1-[4-(piperidin-1-ylmethyl)phenyl]pyrrolidin-3-yl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-[2-(furan-2-yl)ethyl]-N-[5-oxo-1-[4-(piperidin-1-ylmethyl)phenyl]pyrrolidin-3-yl]-1,3,4-thiadiazole-2-carboxamide (CID 122445837) is 5-[2-(furan-2-yl)ethyl]-N-[5-oxo-1-[4-(piperidin-1-ylmethyl)phenyl]pyrrolidin-3-yl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-[2-(furan-2-yl)ethyl]-N-[5-oxo-1-[4-(piperidin-1-ylmethyl)phenyl]pyrrolidin-3-yl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-[2-(furan-2-yl)ethyl]-N-[5-oxo-1-[4-(piperidin-1-ylmethyl)phenyl]pyrrolidin-3-yl]-1,3,4-thiadiazole-2-carboxamide is O=C(NC1CC(=O)N(c2ccc(CN3CCCCC3)cc2)C1)c1nnc(CCc2ccco2)s1.
What is the InChIKey of 5-[2-(furan-2-yl)ethyl]-N-[5-oxo-1-[4-(piperidin-1-ylmethyl)phenyl]pyrrolidin-3-yl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is PPTXDUSMYKQDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3S/c31-23-15-19(26-24(32)25-28-27-22(34-25)11-10-21-5-4-14-33-21)17-30(23)20-8-6-18(7-9-20)16-29-12-2-1-3-13-29/h4-9,14,19H,1-3,10-13,15-17H2,(H,26,32).
What are the key properties of 5-[2-(furan-2-yl)ethyl]-N-[5-oxo-1-[4-(piperidin-1-ylmethyl)phenyl]pyrrolidin-3-yl]-1,3,4-thiadiazole-2-carboxamide?
5-[2-(furan-2-yl)ethyl]-N-[5-oxo-1-[4-(piperidin-1-ylmethyl)phenyl]pyrrolidin-3-yl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 479.61 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(furan-2-yl)ethyl]-N-[5-oxo-1-[4-(piperidin-1-ylmethyl)phenyl]pyrrolidin-3-yl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 122445837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).