N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]acetamide

C15H23N5O3S — CID 56865912

IUPACN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]acetamide
SMILESCOCc1nnc(NC(=O)CN2CCC(N3CCCC3=O)CC2)s1
InChIInChI=1S/C15H23N5O3S/c1-23-10-13-17-18-15(24-13)16-12(21)9-19-7-4-11(5-8-19)20-6-2-3-14(20)22/h11H,2-10H2,1H3,(H,16,18,21)
InChIKeyXPRBJKLDINVJIY-UHFFFAOYSA-N
MW353.45 g/mol
LogP0.71
Rot. Bonds6

About N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]acetamide

N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]acetamide (PubChem CID 56865912) has the molecular formula C15H23N5O3S and a molecular weight of 353.45 g/mol. Its IUPAC name is N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]acetamide
PubChem CID56865912
Molecular FormulaC15H23N5O3S
Molecular Weight353.45 g/mol
Exact Mass353.15
IUPAC NameN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]acetamide
SMILESCOCc1nnc(NC(=O)CN2CCC(N3CCCC3=O)CC2)s1
InChIInChI=1S/C15H23N5O3S/c1-23-10-13-17-18-15(24-13)16-12(21)9-19-7-4-11(5-8-19)20-6-2-3-14(20)22/h11H,2-10H2,1H3,(H,16,18,21)
InChIKeyXPRBJKLDINVJIY-UHFFFAOYSA-N
XLogP0.71
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]acetamide (CID 56865912) is N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]acetamide is COCc1nnc(NC(=O)CN2CCC(N3CCCC3=O)CC2)s1.
What is the InChIKey of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]acetamide?
The InChIKey is XPRBJKLDINVJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O3S/c1-23-10-13-17-18-15(24-13)16-12(21)9-19-7-4-11(5-8-19)20-6-2-3-14(20)22/h11H,2-10H2,1H3,(H,16,18,21).
What are the key properties of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]acetamide?
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]acetamide has a molecular weight of 353.45 g/mol, XLogP of 0.71, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 56865912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).