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

C14H18N4OS — CID 3072301

IUPAC2-[benzyl(methyl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCc1nnc(NC(=O)CN(C)Cc2ccccc2)s1
InChIInChI=1S/C14H18N4OS/c1-3-13-16-17-14(20-13)15-12(19)10-18(2)9-11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3,(H,15,17,19)
InChIKeyFIZVNILUSSJCGF-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.17
Rot. Bonds6

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

2-[benzyl(methyl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 3072301) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID3072301
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name2-[benzyl(methyl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCc1nnc(NC(=O)CN(C)Cc2ccccc2)s1
InChIInChI=1S/C14H18N4OS/c1-3-13-16-17-14(20-13)15-12(19)10-18(2)9-11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3,(H,15,17,19)
InChIKeyFIZVNILUSSJCGF-UHFFFAOYSA-N
XLogP2.17
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[benzyl(methyl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)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 2-[benzyl(methyl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[benzyl(methyl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide (CID 3072301) is 2-[benzyl(methyl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[benzyl(methyl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[benzyl(methyl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide is CCc1nnc(NC(=O)CN(C)Cc2ccccc2)s1.
What is the InChIKey of 2-[benzyl(methyl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is FIZVNILUSSJCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-3-13-16-17-14(20-13)15-12(19)10-18(2)9-11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3,(H,15,17,19).
What are the key properties of 2-[benzyl(methyl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
2-[benzyl(methyl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 290.39 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 3072301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).