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

C18H23N5O3S — CID 22513627

IUPACN-[(4-ethoxyphenyl)methyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide
SMILESCCOc1ccc(CNC(=O)CN(C)c2nnc(N3CCCC3=O)s2)cc1
InChIInChI=1S/C18H23N5O3S/c1-3-26-14-8-6-13(7-9-14)11-19-15(24)12-22(2)17-20-21-18(27-17)23-10-4-5-16(23)25/h6-9H,3-5,10-12H2,1-2H3,(H,19,24)
InChIKeyVTTOXAQAUGTJSG-UHFFFAOYSA-N
MW389.48 g/mol
LogP1.82
Rot. Bonds8

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

N-[(4-ethoxyphenyl)methyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide (PubChem CID 22513627) has the molecular formula C18H23N5O3S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide
PubChem CID22513627
Molecular FormulaC18H23N5O3S
Molecular Weight389.48 g/mol
Exact Mass389.15
IUPAC NameN-[(4-ethoxyphenyl)methyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide
SMILESCCOc1ccc(CNC(=O)CN(C)c2nnc(N3CCCC3=O)s2)cc1
InChIInChI=1S/C18H23N5O3S/c1-3-26-14-8-6-13(7-9-14)11-19-15(24)12-22(2)17-20-21-18(27-17)23-10-4-5-16(23)25/h6-9H,3-5,10-12H2,1-2H3,(H,19,24)
InChIKeyVTTOXAQAUGTJSG-UHFFFAOYSA-N
XLogP1.82
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(4-ethoxyphenyl)methyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide (CID 22513627) is N-[(4-ethoxyphenyl)methyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide is CCOc1ccc(CNC(=O)CN(C)c2nnc(N3CCCC3=O)s2)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide?
The InChIKey is VTTOXAQAUGTJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3S/c1-3-26-14-8-6-13(7-9-14)11-19-15(24)12-22(2)17-20-21-18(27-17)23-10-4-5-16(23)25/h6-9H,3-5,10-12H2,1-2H3,(H,19,24).
What are the key properties of N-[(4-ethoxyphenyl)methyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide?
N-[(4-ethoxyphenyl)methyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide has a molecular weight of 389.48 g/mol, XLogP of 1.82, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide is sourced from PubChem (CID 22513627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).