1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-N-[2-(2-oxopiperidin-1-yl)ethyl]pyrrolidine-3-carboxamide

C17H25N5O4S — CID 154820512

IUPAC1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-N-[2-(2-oxopiperidin-1-yl)ethyl]pyrrolidine-3-carboxamide
SMILESCCOCc1nnc(N2CC(C(=O)NCCN3CCCCC3=O)CC2=O)s1
InChIInChI=1S/C17H25N5O4S/c1-2-26-11-13-19-20-17(27-13)22-10-12(9-15(22)24)16(25)18-6-8-21-7-4-3-5-14(21)23/h12H,2-11H2,1H3,(H,18,25)
InChIKeyUTEGIIBTZSGKII-UHFFFAOYSA-N
MW395.49 g/mol
LogP0.56
Rot. Bonds8

About 1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-N-[2-(2-oxopiperidin-1-yl)ethyl]pyrrolidine-3-carboxamide

1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-N-[2-(2-oxopiperidin-1-yl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 154820512) has the molecular formula C17H25N5O4S and a molecular weight of 395.49 g/mol. Its IUPAC name is 1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-N-[2-(2-oxopiperidin-1-yl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-N-[2-(2-oxopiperidin-1-yl)ethyl]pyrrolidine-3-carboxamide
PubChem CID154820512
Molecular FormulaC17H25N5O4S
Molecular Weight395.49 g/mol
Exact Mass395.16
IUPAC Name1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-N-[2-(2-oxopiperidin-1-yl)ethyl]pyrrolidine-3-carboxamide
SMILESCCOCc1nnc(N2CC(C(=O)NCCN3CCCCC3=O)CC2=O)s1
InChIInChI=1S/C17H25N5O4S/c1-2-26-11-13-19-20-17(27-13)22-10-12(9-15(22)24)16(25)18-6-8-21-7-4-3-5-14(21)23/h12H,2-11H2,1H3,(H,18,25)
InChIKeyUTEGIIBTZSGKII-UHFFFAOYSA-N
XLogP0.56
TPSA104.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 155493660
N-(cyclohexen-1-ylmethyl)-1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 155501415
1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-N-[(5-methylpyrazin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 155495117
1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-N-[(3-fluoro-4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 154565088
N-[(2-chlorophenyl)methyl]-1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 154571211
1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-N-[(5-methylpyrazin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide;formic acid
CID 155940666
1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-N-[(2-ethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 155505454
N-[(5,6-dimethyl-3-pyridinyl)methyl]-1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 155504081
N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 154819627
1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-4-(4-methoxypiperidine-1-carbonyl)pyrrolidin-2-one
CID 154569780
1-(2-ethylphenyl)-5-oxo-N-[2-(2-oxoazepan-1-yl)ethyl]pyrrolidine-3-carboxamide
CID 55688415
4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one
CID 154564093

Frequently Asked Questions

What is the IUPAC name of 1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-N-[2-(2-oxopiperidin-1-yl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-N-[2-(2-oxopiperidin-1-yl)ethyl]pyrrolidine-3-carboxamide (CID 154820512) is 1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-N-[2-(2-oxopiperidin-1-yl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-N-[2-(2-oxopiperidin-1-yl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-N-[2-(2-oxopiperidin-1-yl)ethyl]pyrrolidine-3-carboxamide is CCOCc1nnc(N2CC(C(=O)NCCN3CCCCC3=O)CC2=O)s1.
What is the InChIKey of 1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-N-[2-(2-oxopiperidin-1-yl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is UTEGIIBTZSGKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O4S/c1-2-26-11-13-19-20-17(27-13)22-10-12(9-15(22)24)16(25)18-6-8-21-7-4-3-5-14(21)23/h12H,2-11H2,1H3,(H,18,25).
What are the key properties of 1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-N-[2-(2-oxopiperidin-1-yl)ethyl]pyrrolidine-3-carboxamide?
1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-N-[2-(2-oxopiperidin-1-yl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 395.49 g/mol, XLogP of 0.56, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-N-[2-(2-oxopiperidin-1-yl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 154820512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).