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

C17H21N5O3S — CID 22513608

IUPACN-[(3-methoxyphenyl)methyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide
SMILESCOc1cccc(CNC(=O)CN(C)c2nnc(N3CCCC3=O)s2)c1
InChIInChI=1S/C17H21N5O3S/c1-21(16-19-20-17(26-16)22-8-4-7-15(22)24)11-14(23)18-10-12-5-3-6-13(9-12)25-2/h3,5-6,9H,4,7-8,10-11H2,1-2H3,(H,18,23)
InChIKeyLGPZREFYOVDOIK-UHFFFAOYSA-N
MW375.45 g/mol
LogP1.43
Rot. Bonds7

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

N-[(3-methoxyphenyl)methyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide (PubChem CID 22513608) has the molecular formula C17H21N5O3S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide
PubChem CID22513608
Molecular FormulaC17H21N5O3S
Molecular Weight375.45 g/mol
Exact Mass375.14
IUPAC NameN-[(3-methoxyphenyl)methyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide
SMILESCOc1cccc(CNC(=O)CN(C)c2nnc(N3CCCC3=O)s2)c1
InChIInChI=1S/C17H21N5O3S/c1-21(16-19-20-17(26-16)22-8-4-7-15(22)24)11-14(23)18-10-12-5-3-6-13(9-12)25-2/h3,5-6,9H,4,7-8,10-11H2,1-2H3,(H,18,23)
InChIKeyLGPZREFYOVDOIK-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

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)-2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 6469564
1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-propoxyphenyl)methyl]piperidine-4-carboxamide
CID 22513427
N-(3-methoxybenzyl)-1-[5-(2-oxo-1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]-4-piperidinecarboxamide
CID 22513393
(2S)-N-[(2-ethoxyphenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 92736848
(2S)-N-[(3-methoxyphenyl)methyl]-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 92750446
1-Cyclopentyl-3-[5-[4-[(2-fluoro-5-methoxyphenyl)methyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]urea
CID 58430555
1-Cyclopentyl-3-[5-[4-[(4-fluoro-3-methoxyphenyl)methyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]urea
CID 68235599
N-[5-[[1-[(1E,3Z)-1,4-diaminobuta-1,3-dienyl]pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]-2-[4-[[3-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetamide
CID 177337296
N-[(2,3-Dimethoxyphenyl)methyl]-2-{methyl[5-(2-oxopyrrolidin-1-YL)-1,3,4-thiadiazol-2-YL]amino}acetamide
CID 22513626
N-[(3,4-dimethoxyphenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 46344974
1-decanoyl-N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 3545548

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide (CID 22513608) is N-[(3-methoxyphenyl)methyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide is COc1cccc(CNC(=O)CN(C)c2nnc(N3CCCC3=O)s2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide?
The InChIKey is LGPZREFYOVDOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3S/c1-21(16-19-20-17(26-16)22-8-4-7-15(22)24)11-14(23)18-10-12-5-3-6-13(9-12)25-2/h3,5-6,9H,4,7-8,10-11H2,1-2H3,(H,18,23).
What are the key properties of N-[(3-methoxyphenyl)methyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide?
N-[(3-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-[(3-methoxyphenyl)methyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide is sourced from PubChem (CID 22513608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).