N-[1-(2,5-dimethoxyphenyl)ethyl]thiadiazol-5-amine

C12H15N3O2S — CID 107649577

IUPACN-[1-(2,5-dimethoxyphenyl)ethyl]thiadiazol-5-amine
SMILESCOc1ccc(OC)c(C(C)Nc2cnns2)c1
InChIInChI=1S/C12H15N3O2S/c1-8(14-12-7-13-15-18-12)10-6-9(16-2)4-5-11(10)17-3/h4-8,14H,1-3H3
InChIKeyAFSKKIIYVUNGJX-UHFFFAOYSA-N
MW265.34 g/mol
LogP2.73
Rot. Bonds5

About N-[1-(2,5-dimethoxyphenyl)ethyl]thiadiazol-5-amine

N-[1-(2,5-dimethoxyphenyl)ethyl]thiadiazol-5-amine (PubChem CID 107649577) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is N-[1-(2,5-dimethoxyphenyl)ethyl]thiadiazol-5-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethoxyphenyl)ethyl]thiadiazol-5-amine
PubChem CID107649577
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC NameN-[1-(2,5-dimethoxyphenyl)ethyl]thiadiazol-5-amine
SMILESCOc1ccc(OC)c(C(C)Nc2cnns2)c1
InChIInChI=1S/C12H15N3O2S/c1-8(14-12-7-13-15-18-12)10-6-9(16-2)4-5-11(10)17-3/h4-8,14H,1-3H3
InChIKeyAFSKKIIYVUNGJX-UHFFFAOYSA-N
XLogP2.73
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(2,5-dimethoxyphenyl)ethyl]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

(1S)-1-(2,5-dimethoxyphenyl)-N-methylethanamine
CID 40516621
4-chloro-N-[1-(2,5-dimethoxyphenyl)ethyl]-2-iodoaniline
CID 107632180
1-(2,5-dimethoxyphenyl)-N-ethoxyethanamine
CID 82709740
N-[1-(2,5-dimethoxyphenyl)ethyl]-1-methylsulfanylpropan-2-amine
CID 115721691
6-[1-(2,5-dimethoxyphenyl)ethylamino]pyridazine-3-carbonitrile
CID 133431845
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-difluoroaniline
CID 43192574
N-[1-(2,5-dimethoxyphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine
CID 42926398
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine
CID 35790358
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]methanesulfonamide
CID 51389866
1-(2,5-dimethoxyphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 103786252
N-[1-(2-bromophenyl)ethyl]-2,5-dimethoxyaniline
CID 43192925
(2,4-dimethoxyphenyl)-(thiadiazol-5-yl)methanol
CID 105096021

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]thiadiazol-5-amine?
The IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]thiadiazol-5-amine (CID 107649577) is N-[1-(2,5-dimethoxyphenyl)ethyl]thiadiazol-5-amine.
What is the SMILES notation for N-[1-(2,5-dimethoxyphenyl)ethyl]thiadiazol-5-amine?
The canonical SMILES for N-[1-(2,5-dimethoxyphenyl)ethyl]thiadiazol-5-amine is COc1ccc(OC)c(C(C)Nc2cnns2)c1.
What is the InChIKey of N-[1-(2,5-dimethoxyphenyl)ethyl]thiadiazol-5-amine?
The InChIKey is AFSKKIIYVUNGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-8(14-12-7-13-15-18-12)10-6-9(16-2)4-5-11(10)17-3/h4-8,14H,1-3H3.
What are the key properties of N-[1-(2,5-dimethoxyphenyl)ethyl]thiadiazol-5-amine?
N-[1-(2,5-dimethoxyphenyl)ethyl]thiadiazol-5-amine has a molecular weight of 265.34 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethoxyphenyl)ethyl]thiadiazol-5-amine is sourced from PubChem (CID 107649577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).