N-[(2,3-dimethoxyphenyl)methyl]-3-thiophen-3-yl-1,2,4-thiadiazol-5-amine

C15H15N3O2S2 — CID 75446240

IUPACN-[(2,3-dimethoxyphenyl)methyl]-3-thiophen-3-yl-1,2,4-thiadiazol-5-amine
SMILESCOc1cccc(CNc2nc(-c3ccsc3)ns2)c1OC
InChIInChI=1S/C15H15N3O2S2/c1-19-12-5-3-4-10(13(12)20-2)8-16-15-17-14(18-22-15)11-6-7-21-9-11/h3-7,9H,8H2,1-2H3,(H,16,17,18)
InChIKeySXRSDALJJMYOGP-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.90
Rot. Bonds6

About N-[(2,3-dimethoxyphenyl)methyl]-3-thiophen-3-yl-1,2,4-thiadiazol-5-amine

N-[(2,3-dimethoxyphenyl)methyl]-3-thiophen-3-yl-1,2,4-thiadiazol-5-amine (PubChem CID 75446240) has the molecular formula C15H15N3O2S2 and a molecular weight of 333.44 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-3-thiophen-3-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-3-thiophen-3-yl-1,2,4-thiadiazol-5-amine
PubChem CID75446240
Molecular FormulaC15H15N3O2S2
Molecular Weight333.44 g/mol
Exact Mass333.06
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-3-thiophen-3-yl-1,2,4-thiadiazol-5-amine
SMILESCOc1cccc(CNc2nc(-c3ccsc3)ns2)c1OC
InChIInChI=1S/C15H15N3O2S2/c1-19-12-5-3-4-10(13(12)20-2)8-16-15-17-14(18-22-15)11-6-7-21-9-11/h3-7,9H,8H2,1-2H3,(H,16,17,18)
InChIKeySXRSDALJJMYOGP-UHFFFAOYSA-N
XLogP3.90
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(2,3-dimethoxyphenyl)methyl]-3-thiophen-3-yl-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-[(2,3-dimethoxyphenyl)methyl]-6-thiophen-3-ylpyridine-3-carboxamide
CID 53149665
2-methoxy-6-[[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]phenol
CID 133448186
N-[(2,3-dimethoxyphenyl)methyl]-5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine
CID 75446219
2-[(2,3-dimethoxyphenyl)methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 9149231
N-[(2,3-dimethoxyphenyl)methyl]-4-methylaniline
CID 4143681
N-[(2,3-dimethoxyphenyl)methyl]hydroxylamine
CID 11572077
N-[(2,3-dimethoxyphenyl)methyl]-1,1-diphenylmethanamine
CID 30611700
4-tert-butyl-N-[(2,3-dimethoxyphenyl)methyl]aniline
CID 39422649
2-methoxy-6-[(thiophen-3-ylamino)methyl]phenol
CID 66351207
N-[(2,3-dimethoxyphenyl)methyl]-6-fluoropyridin-3-amine
CID 103825857
N-[(2,3-dimethoxyphenyl)methyl]-4-methoxypyridin-3-amine
CID 75430755
N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 91460435

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-3-thiophen-3-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-3-thiophen-3-yl-1,2,4-thiadiazol-5-amine (CID 75446240) is N-[(2,3-dimethoxyphenyl)methyl]-3-thiophen-3-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-3-thiophen-3-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-3-thiophen-3-yl-1,2,4-thiadiazol-5-amine is COc1cccc(CNc2nc(-c3ccsc3)ns2)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-3-thiophen-3-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is SXRSDALJJMYOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S2/c1-19-12-5-3-4-10(13(12)20-2)8-16-15-17-14(18-22-15)11-6-7-21-9-11/h3-7,9H,8H2,1-2H3,(H,16,17,18).
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-3-thiophen-3-yl-1,2,4-thiadiazol-5-amine?
N-[(2,3-dimethoxyphenyl)methyl]-3-thiophen-3-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 333.44 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-3-thiophen-3-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 75446240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).