N-[(2-methoxyphenyl)methyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide

C17H21N5O3S — CID 22513607

IUPACN-[(2-methoxyphenyl)methyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide
SMILESCOc1ccccc1CNC(=O)CN(C)c1nnc(N2CCCC2=O)s1
InChIInChI=1S/C17H21N5O3S/c1-21(16-19-20-17(26-16)22-9-5-8-15(22)24)11-14(23)18-10-12-6-3-4-7-13(12)25-2/h3-4,6-7H,5,8-11H2,1-2H3,(H,18,23)
InChIKeyXUDLXQXWRBGSOT-UHFFFAOYSA-N
MW375.45 g/mol
LogP1.43
Rot. Bonds7

About N-[(2-methoxyphenyl)methyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide

N-[(2-methoxyphenyl)methyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide (PubChem CID 22513607) has the molecular formula C17H21N5O3S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide
PubChem CID22513607
Molecular FormulaC17H21N5O3S
Molecular Weight375.45 g/mol
Exact Mass375.14
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide
SMILESCOc1ccccc1CNC(=O)CN(C)c1nnc(N2CCCC2=O)s1
InChIInChI=1S/C17H21N5O3S/c1-21(16-19-20-17(26-16)22-9-5-8-15(22)24)11-14(23)18-10-12-6-3-4-7-13(12)25-2/h3-4,6-7H,5,8-11H2,1-2H3,(H,18,23)
InChIKeyXUDLXQXWRBGSOT-UHFFFAOYSA-N
XLogP1.43
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-(5-fluoro-2-methoxybenzyl)piperazin-1-yl]-4-oxo-N-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide
CID 664549
N-(5-Isopropyl-[1,3,4]thiadiazol-2-yl)-N'-(2-methoxy-benzyl)-succinamide
CID 1400789
N-(2-Methoxy-benzyl)-N'-(5-propyl-[1,3,4]thiadiazol-2-yl)-succinamide
CID 1414750
N-[(4-methoxyphenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 22513382
N-(5-Ethyl-[1,3,4]thiadiazol-2-yl)-N'-(2-methoxy-benzyl)-succinamide
CID 938952
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(4-(5-fluoro-2-methoxybenzyl)piperazin-1-yl)-4-oxobutanamide
CID 664463
4-[4-(5-fluoro-2-methoxybenzyl)piperazin-1-yl]-4-oxo-N-[(2Z)-5-propyl-1,3,4-thiadiazol-2(3H)-ylidene]butanamide
CID 3807314
1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-propoxyphenyl)methyl]piperidine-4-carboxamide
CID 22513427
N-[(2-methoxyphenyl)methyl]-N'-(5-methyl-1,3,4-thiadiazol-2-yl)butanediamide
CID 663498
4-[4-(5-fluoro-2-methoxybenzyl)piperazin-1-yl]-N-[(2Z)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxobutanamide
CID 4539511
N-(3-methoxybenzyl)-1-[5-(2-oxo-1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]-4-piperidinecarboxamide
CID 22513393
N-[(5-bromo-2-methoxyphenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 22513430

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide (CID 22513607) is N-[(2-methoxyphenyl)methyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide is COc1ccccc1CNC(=O)CN(C)c1nnc(N2CCCC2=O)s1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide?
The InChIKey is XUDLXQXWRBGSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3S/c1-21(16-19-20-17(26-16)22-9-5-8-15(22)24)11-14(23)18-10-12-6-3-4-7-13(12)25-2/h3-4,6-7H,5,8-11H2,1-2H3,(H,18,23).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide?
N-[(2-methoxyphenyl)methyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide has a molecular weight of 375.45 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide is sourced from PubChem (CID 22513607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).