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

C19H25N5O5S — CID 20958096

IUPAC2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(CNC(=O)CN(C)c2nnc(N3CCCC3=O)s2)cc(OC)c1OC
InChIInChI=1S/C19H25N5O5S/c1-23(18-21-22-19(30-18)24-7-5-6-16(24)26)11-15(25)20-10-12-8-13(27-2)17(29-4)14(9-12)28-3/h8-9H,5-7,10-11H2,1-4H3,(H,20,25)
InChIKeyYQXBLIGJIHNUQP-UHFFFAOYSA-N
MW435.51 g/mol
LogP1.44
Rot. Bonds9

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

2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide (PubChem CID 20958096) has the molecular formula C19H25N5O5S and a molecular weight of 435.51 g/mol. Its IUPAC name is 2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
PubChem CID20958096
Molecular FormulaC19H25N5O5S
Molecular Weight435.51 g/mol
Exact Mass435.16
IUPAC Name2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(CNC(=O)CN(C)c2nnc(N3CCCC3=O)s2)cc(OC)c1OC
InChIInChI=1S/C19H25N5O5S/c1-23(18-21-22-19(30-18)24-7-5-6-16(24)26)11-15(25)20-10-12-8-13(27-2)17(29-4)14(9-12)28-3/h8-9H,5-7,10-11H2,1-4H3,(H,20,25)
InChIKeyYQXBLIGJIHNUQP-UHFFFAOYSA-N
XLogP1.44
TPSA106.12 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide
CID 22513598
2-[methyl-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 20958246
2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-(4-phenylbutan-2-yl)acetamide
CID 22513617
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide
CID 22513623
N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide
CID 20958090
N-[3-[butyl(furan-2-ylmethyl)amino]propyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide
CID 20958112
1-[5-[[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-methylamino]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one
CID 22513644
1-[5-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-methylamino]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one
CID 20958087
2-(4-oxo-1,3-thiazolidin-3-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 9483391
2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 27825242
1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-[(3,4,5-trimethoxyphenyl)methyl]thiourea
CID 100683608
N-[(3,4,5-trimethoxyphenyl)methyl]-2-(N,2,3-trimethylanilino)acetamide
CID 60525101

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide (CID 20958096) is 2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide is COc1cc(CNC(=O)CN(C)c2nnc(N3CCCC3=O)s2)cc(OC)c1OC.
What is the InChIKey of 2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The InChIKey is YQXBLIGJIHNUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O5S/c1-23(18-21-22-19(30-18)24-7-5-6-16(24)26)11-15(25)20-10-12-8-13(27-2)17(29-4)14(9-12)28-3/h8-9H,5-7,10-11H2,1-4H3,(H,20,25).
What are the key properties of 2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide has a molecular weight of 435.51 g/mol, XLogP of 1.44, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 20958096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).