N-[2-methyl-4-(thiadiazol-4-ylmethylamino)phenyl]acetamide

C12H14N4OS — CID 43672907

IUPACN-[2-methyl-4-(thiadiazol-4-ylmethylamino)phenyl]acetamide
SMILESCC(=O)Nc1ccc(NCc2csnn2)cc1C
InChIInChI=1S/C12H14N4OS/c1-8-5-10(3-4-12(8)14-9(2)17)13-6-11-7-18-16-15-11/h3-5,7,13H,6H2,1-2H3,(H,14,17)
InChIKeyCTFRMIZCCGRNTQ-UHFFFAOYSA-N
MW262.34 g/mol
LogP2.42
Rot. Bonds4

About N-[2-methyl-4-(thiadiazol-4-ylmethylamino)phenyl]acetamide

N-[2-methyl-4-(thiadiazol-4-ylmethylamino)phenyl]acetamide (PubChem CID 43672907) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is N-[2-methyl-4-(thiadiazol-4-ylmethylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-methyl-4-(thiadiazol-4-ylmethylamino)phenyl]acetamide
PubChem CID43672907
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC NameN-[2-methyl-4-(thiadiazol-4-ylmethylamino)phenyl]acetamide
SMILESCC(=O)Nc1ccc(NCc2csnn2)cc1C
InChIInChI=1S/C12H14N4OS/c1-8-5-10(3-4-12(8)14-9(2)17)13-6-11-7-18-16-15-11/h3-5,7,13H,6H2,1-2H3,(H,14,17)
InChIKeyCTFRMIZCCGRNTQ-UHFFFAOYSA-N
XLogP2.42
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-methyl-4-(thiadiazol-4-ylmethylamino)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

Related Compounds

3,4-dimethyl-N-(thiadiazol-4-ylmethyl)aniline
CID 43663904
3-chloro-4-methyl-N-(thiadiazol-4-ylmethyl)aniline
CID 43663810
N-[2-methyl-4-(pyrimidin-5-ylmethylamino)phenyl]acetamide
CID 62758402
N-[2-methyl-4-(2-methylpropylamino)phenyl]acetamide
CID 43672835
N-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]-2-methylphenyl]acetamide
CID 78964135
N-[4-[(3-bromothiophen-2-yl)methylamino]-2-methylphenyl]acetamide
CID 115379864
N-[4-[(3-aminothiophen-2-yl)methylamino]-2-methylphenyl]acetamide
CID 66386931
5-[(4-acetamido-3-methylanilino)methyl]furan-2-carboxylic acid
CID 63316911
N-[4-[(5-fluoro-2-methylphenyl)methylamino]-2-methylphenyl]acetamide
CID 103943723
N-[4-[(3-bromo-4-methylphenyl)methylamino]-2-methylphenyl]acetamide
CID 115876095
N-[4-[(2-ethylpyrazol-3-yl)methylamino]-2-methylphenyl]acetamide
CID 115761962
N-[4-[(2,4-difluorophenyl)methylamino]-2-methylphenyl]acetamide
CID 43672810

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-(thiadiazol-4-ylmethylamino)phenyl]acetamide?
The IUPAC name of N-[2-methyl-4-(thiadiazol-4-ylmethylamino)phenyl]acetamide (CID 43672907) is N-[2-methyl-4-(thiadiazol-4-ylmethylamino)phenyl]acetamide.
What is the SMILES notation for N-[2-methyl-4-(thiadiazol-4-ylmethylamino)phenyl]acetamide?
The canonical SMILES for N-[2-methyl-4-(thiadiazol-4-ylmethylamino)phenyl]acetamide is CC(=O)Nc1ccc(NCc2csnn2)cc1C.
What is the InChIKey of N-[2-methyl-4-(thiadiazol-4-ylmethylamino)phenyl]acetamide?
The InChIKey is CTFRMIZCCGRNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-8-5-10(3-4-12(8)14-9(2)17)13-6-11-7-18-16-15-11/h3-5,7,13H,6H2,1-2H3,(H,14,17).
What are the key properties of N-[2-methyl-4-(thiadiazol-4-ylmethylamino)phenyl]acetamide?
N-[2-methyl-4-(thiadiazol-4-ylmethylamino)phenyl]acetamide has a molecular weight of 262.34 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-(thiadiazol-4-ylmethylamino)phenyl]acetamide is sourced from PubChem (CID 43672907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).