N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-3-phenyl-1,2,4-thiadiazol-5-amine

C16H18N4OS2 — CID 133337753

IUPACN-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-3-phenyl-1,2,4-thiadiazol-5-amine
SMILESCOC(C)c1nc(CN(C)c2nc(-c3ccccc3)ns2)cs1
InChIInChI=1S/C16H18N4OS2/c1-11(21-3)15-17-13(10-22-15)9-20(2)16-18-14(19-23-16)12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3
InChIKeyYEQLFASPLYFXJY-UHFFFAOYSA-N
MW346.48 g/mol
LogP4.01
Rot. Bonds6

About N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-3-phenyl-1,2,4-thiadiazol-5-amine

N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-3-phenyl-1,2,4-thiadiazol-5-amine (PubChem CID 133337753) has the molecular formula C16H18N4OS2 and a molecular weight of 346.48 g/mol. Its IUPAC name is N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-3-phenyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-3-phenyl-1,2,4-thiadiazol-5-amine
PubChem CID133337753
Molecular FormulaC16H18N4OS2
Molecular Weight346.48 g/mol
Exact Mass346.09
IUPAC NameN-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-3-phenyl-1,2,4-thiadiazol-5-amine
SMILESCOC(C)c1nc(CN(C)c2nc(-c3ccccc3)ns2)cs1
InChIInChI=1S/C16H18N4OS2/c1-11(21-3)15-17-13(10-22-15)9-20(2)16-18-14(19-23-16)12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3
InChIKeyYEQLFASPLYFXJY-UHFFFAOYSA-N
XLogP4.01
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-3-phenyl-1,2,4-thiadiazol-5-amine 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

N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N,2-dimethylquinolin-4-amine
CID 133337708
N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-1H-benzimidazol-2-amine
CID 133410822
2-(difluoromethyl)-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylquinazolin-4-amine
CID 133337716
(1S)-N-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-1-(2-methoxyphenyl)-N-methylethanamine
CID 95787187
3-chloro-2-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl-methylamino]benzonitrile
CID 133337732
5-chloro-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpyrimidin-2-amine
CID 133337743
N-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-phenylcyclopropane-1-carboxamide
CID 96529611
4-ethyl-2-(1-methoxyethyl)-1,3-thiazole
CID 115680000
1-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-1,3,3-trimethylurea
CID 99775487
(2S)-2-[benzyl-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]amino]butan-1-ol
CID 75455984
3-ethyl-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1-methyl-2-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]guanidine
CID 109456562
6-bromo-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylquinolin-2-amine
CID 133337737

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-3-phenyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-3-phenyl-1,2,4-thiadiazol-5-amine (CID 133337753) is N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-3-phenyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-3-phenyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-3-phenyl-1,2,4-thiadiazol-5-amine is COC(C)c1nc(CN(C)c2nc(-c3ccccc3)ns2)cs1.
What is the InChIKey of N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-3-phenyl-1,2,4-thiadiazol-5-amine?
The InChIKey is YEQLFASPLYFXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS2/c1-11(21-3)15-17-13(10-22-15)9-20(2)16-18-14(19-23-16)12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3.
What are the key properties of N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-3-phenyl-1,2,4-thiadiazol-5-amine?
N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-3-phenyl-1,2,4-thiadiazol-5-amine has a molecular weight of 346.48 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-3-phenyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133337753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).