2-[(2,4-dimethoxyphenyl)methyl]-3H-1,2,4-thiadiazole

C11H14N2O2S — CID 150222873

IUPAC2-[(2,4-dimethoxyphenyl)methyl]-3H-1,2,4-thiadiazole
SMILESCOc1ccc(CN2CN=CS2)c(OC)c1
InChIInChI=1S/C11H14N2O2S/c1-14-10-4-3-9(11(5-10)15-2)6-13-7-12-8-16-13/h3-5,8H,6-7H2,1-2H3
InChIKeyFTVXCSWZOICWEK-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.15
Rot. Bonds4

About 2-[(2,4-dimethoxyphenyl)methyl]-3H-1,2,4-thiadiazole

2-[(2,4-dimethoxyphenyl)methyl]-3H-1,2,4-thiadiazole (PubChem CID 150222873) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-[(2,4-dimethoxyphenyl)methyl]-3H-1,2,4-thiadiazole.

Molecular Properties

Compound Name2-[(2,4-dimethoxyphenyl)methyl]-3H-1,2,4-thiadiazole
PubChem CID150222873
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC Name2-[(2,4-dimethoxyphenyl)methyl]-3H-1,2,4-thiadiazole
SMILESCOc1ccc(CN2CN=CS2)c(OC)c1
InChIInChI=1S/C11H14N2O2S/c1-14-10-4-3-9(11(5-10)15-2)6-13-7-12-8-16-13/h3-5,8H,6-7H2,1-2H3
InChIKeyFTVXCSWZOICWEK-UHFFFAOYSA-N
XLogP2.15
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(2,4-dimethoxyphenyl)methyl]-3H-1,2,4-thiadiazole 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

2-[(2,4-dimethoxyphenyl)methyl]-6,6-difluorothiazinane
CID 123741698
1-[(2,4-dimethoxyphenyl)methyl]pyrrole
CID 63363175
1-[(2,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1126160
1-[(2,4-dimethoxyphenyl)methyl]-2H-pyrazine
CID 174982373
1-(iodomethyl)-2,4-dimethoxybenzene
CID 91883521
(3S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-ol
CID 754063
1-[(2,4-dimethoxyphenyl)methyl]-4-methylazetidin-2-one
CID 154478411
2-[(2,4-dimethoxyphenyl)methyl]-5-methyl-1,3-dihydroisoindole
CID 70790411
1-[(4-bromophenyl)methyl]-4-[(2,4-dimethoxyphenyl)methyl]piperazine
CID 1222780
1-[(2,4-dimethoxyphenyl)methyl]-2H-tetrazole-5-thione
CID 63363129
2-[(2,4-dimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 791234
6-chloro-2-[(2,4-dimethoxyphenyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine
CID 71817812

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethoxyphenyl)methyl]-3H-1,2,4-thiadiazole?
The IUPAC name of 2-[(2,4-dimethoxyphenyl)methyl]-3H-1,2,4-thiadiazole (CID 150222873) is 2-[(2,4-dimethoxyphenyl)methyl]-3H-1,2,4-thiadiazole.
What is the SMILES notation for 2-[(2,4-dimethoxyphenyl)methyl]-3H-1,2,4-thiadiazole?
The canonical SMILES for 2-[(2,4-dimethoxyphenyl)methyl]-3H-1,2,4-thiadiazole is COc1ccc(CN2CN=CS2)c(OC)c1.
What is the InChIKey of 2-[(2,4-dimethoxyphenyl)methyl]-3H-1,2,4-thiadiazole?
The InChIKey is FTVXCSWZOICWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-14-10-4-3-9(11(5-10)15-2)6-13-7-12-8-16-13/h3-5,8H,6-7H2,1-2H3.
What are the key properties of 2-[(2,4-dimethoxyphenyl)methyl]-3H-1,2,4-thiadiazole?
2-[(2,4-dimethoxyphenyl)methyl]-3H-1,2,4-thiadiazole has a molecular weight of 238.31 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethoxyphenyl)methyl]-3H-1,2,4-thiadiazole is sourced from PubChem (CID 150222873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).