N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide

C13H17N7O3S2 — CID 155493660

IUPACN-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCCOCc1nnc(N2CC(C(=O)NCc3nnc(N)s3)CC2=O)s1
InChIInChI=1S/C13H17N7O3S2/c1-2-23-6-9-17-19-13(25-9)20-5-7(3-10(20)21)11(22)15-4-8-16-18-12(14)24-8/h7H,2-6H2,1H3,(H2,14,18)(H,15,22)
InChIKeyMYLHWCLALWPZJE-UHFFFAOYSA-N
MW383.46 g/mol
LogP0.18
Rot. Bonds7

About N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide

N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 155493660) has the molecular formula C13H17N7O3S2 and a molecular weight of 383.46 g/mol. Its IUPAC name is N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID155493660
Molecular FormulaC13H17N7O3S2
Molecular Weight383.46 g/mol
Exact Mass383.08
IUPAC NameN-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCCOCc1nnc(N2CC(C(=O)NCc3nnc(N)s3)CC2=O)s1
InChIInChI=1S/C13H17N7O3S2/c1-2-23-6-9-17-19-13(25-9)20-5-7(3-10(20)21)11(22)15-4-8-16-18-12(14)24-8/h7H,2-6H2,1H3,(H2,14,18)(H,15,22)
InChIKeyMYLHWCLALWPZJE-UHFFFAOYSA-N
XLogP0.18
TPSA136.22 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-N-[(5-methylpyrazin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 155495117
N-[(2-chlorophenyl)methyl]-1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 154571211
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;formic acid
CID 155940666
1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-N-[(2-ethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 155505454
1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-N-[2-(2-oxopiperidin-1-yl)ethyl]pyrrolidine-3-carboxamide
CID 154820512
N-[(5,6-dimethyl-3-pyridinyl)methyl]-1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 155504081
1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-N-[(3-fluoro-4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 154565088
1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-4-(4-methoxypiperidine-1-carbonyl)pyrrolidin-2-one
CID 154569780
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
(3S)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 9401919
4-[1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carbonyl]-1-phenylpiperazin-2-one
CID 154563661

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 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) is N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide is CCOCc1nnc(N2CC(C(=O)NCc3nnc(N)s3)CC2=O)s1.
What is the InChIKey of N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is MYLHWCLALWPZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N7O3S2/c1-2-23-6-9-17-19-13(25-9)20-5-7(3-10(20)21)11(22)15-4-8-16-18-12(14)24-8/h7H,2-6H2,1H3,(H2,14,18)(H,15,22).
What are the key properties of N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 383.46 g/mol, XLogP of 0.18, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 155493660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).