N-[4-[[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]methyl]phenyl]acetamide

C14H18N4OS — CID 50953439

IUPACN-[4-[[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN(C)Cc2snnc2C)cc1
InChIInChI=1S/C14H18N4OS/c1-10-14(20-17-16-10)9-18(3)8-12-4-6-13(7-5-12)15-11(2)19/h4-7H,8-9H2,1-3H3,(H,15,19)
InChIKeyJKJJGXDUPJECFD-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.44
Rot. Bonds5

About N-[4-[[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]methyl]phenyl]acetamide

N-[4-[[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]methyl]phenyl]acetamide (PubChem CID 50953439) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is N-[4-[[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]methyl]phenyl]acetamide
PubChem CID50953439
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC NameN-[4-[[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN(C)Cc2snnc2C)cc1
InChIInChI=1S/C14H18N4OS/c1-10-14(20-17-16-10)9-18(3)8-12-4-6-13(7-5-12)15-11(2)19/h4-7H,8-9H2,1-3H3,(H,15,19)
InChIKeyJKJJGXDUPJECFD-UHFFFAOYSA-N
XLogP2.44
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]methyl]phenyl]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-[[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]methyl]phenyl]acetamide (CID 50953439) is N-[4-[[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]methyl]phenyl]acetamide is CC(=O)Nc1ccc(CN(C)Cc2snnc2C)cc1.
What is the InChIKey of N-[4-[[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]methyl]phenyl]acetamide?
The InChIKey is JKJJGXDUPJECFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-10-14(20-17-16-10)9-18(3)8-12-4-6-13(7-5-12)15-11(2)19/h4-7H,8-9H2,1-3H3,(H,15,19).
What are the key properties of N-[4-[[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]methyl]phenyl]acetamide?
N-[4-[[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]methyl]phenyl]acetamide has a molecular weight of 290.39 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]methyl]phenyl]acetamide is sourced from PubChem (CID 50953439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).