5-N-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-thiadiazole-3,5-diamine

C10H10N4OS — CID 66279227

IUPAC5-N-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-thiadiazole-3,5-diamine
SMILESNc1nsc(NC2COc3ccccc32)n1
InChIInChI=1S/C10H10N4OS/c11-9-13-10(16-14-9)12-7-5-15-8-4-2-1-3-6(7)8/h1-4,7H,5H2,(H3,11,12,13,14)
InChIKeyADDLOZMNLQTKSI-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.67
Rot. Bonds2

About 5-N-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-thiadiazole-3,5-diamine

5-N-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-thiadiazole-3,5-diamine (PubChem CID 66279227) has the molecular formula C10H10N4OS and a molecular weight of 234.28 g/mol. Its IUPAC name is 5-N-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-thiadiazole-3,5-diamine
PubChem CID66279227
Molecular FormulaC10H10N4OS
Molecular Weight234.28 g/mol
Exact Mass234.06
IUPAC Name5-N-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-thiadiazole-3,5-diamine
SMILESNc1nsc(NC2COc3ccccc32)n1
InChIInChI=1S/C10H10N4OS/c11-9-13-10(16-14-9)12-7-5-15-8-4-2-1-3-6(7)8/h1-4,7H,5H2,(H3,11,12,13,14)
InChIKeyADDLOZMNLQTKSI-UHFFFAOYSA-N
XLogP1.67
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-N-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-thiadiazole-3,5-diamine 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-(2,3-dihydro-1-benzofuran-3-ylamino)-1,3-thiazole-4-carboxylic acid
CID 80568532
4-N-(2,3-dihydro-1-benzofuran-3-yl)quinoline-3,4-diamine
CID 103963345
2-N-(2,3-dihydro-1-benzofuran-3-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80822527
3-chloro-1-N-(2,3-dihydro-1-benzofuran-3-yl)benzene-1,2-diamine
CID 104834591
3-cyclopropyl-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1,2,4-thiadiazol-5-amine
CID 133363274
N-(2,3-dihydro-1-benzofuran-3-yl)-5,6-dimethylpyrazin-2-amine
CID 114475837
N-(2,3-dihydro-1-benzofuran-3-yl)-2,3,4,5-tetrahydropyridin-6-amine
CID 79504361
6-N-(2,3-dihydro-1-benzofuran-3-yl)-1H-indazole-5,6-diamine
CID 107490352
5-(2,3-dihydro-1-benzofuran-3-ylamino)-3-methyl-1,2-thiazole-4-carbonitrile
CID 79375468
ethyl 3-amino-5-(2,3-dihydro-1-benzofuran-3-ylamino)-1,2-thiazole-4-carboxylate
CID 103381303
(3S)-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
CID 119030525
N-(2,3-dihydro-1-benzofuran-3-yl)-6-ethoxy-2-methylpyrimidin-4-amine
CID 66326930

Frequently Asked Questions

What is the IUPAC name of 5-N-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 5-N-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-thiadiazole-3,5-diamine (CID 66279227) is 5-N-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 5-N-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 5-N-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-thiadiazole-3,5-diamine is Nc1nsc(NC2COc3ccccc32)n1.
What is the InChIKey of 5-N-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is ADDLOZMNLQTKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4OS/c11-9-13-10(16-14-9)12-7-5-15-8-4-2-1-3-6(7)8/h1-4,7H,5H2,(H3,11,12,13,14).
What are the key properties of 5-N-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-thiadiazole-3,5-diamine?
5-N-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 234.28 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 66279227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).