3-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol

C15H19N3OS — CID 107647982

IUPAC3-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol
SMILESCCc1nnc(NC2CC(C)c3c(C)ccc(O)c32)s1
InChIInChI=1S/C15H19N3OS/c1-4-12-17-18-15(20-12)16-10-7-9(3)13-8(2)5-6-11(19)14(10)13/h5-6,9-10,19H,4,7H2,1-3H3,(H,16,18)
InChIKeyAHAIKMMXLPTMFE-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.77
Rot. Bonds3

About 3-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol

3-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol (PubChem CID 107647982) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 3-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name3-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol
PubChem CID107647982
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name3-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol
SMILESCCc1nnc(NC2CC(C)c3c(C)ccc(O)c32)s1
InChIInChI=1S/C15H19N3OS/c1-4-12-17-18-15(20-12)16-10-7-9(3)13-8(2)5-6-11(19)14(10)13/h5-6,9-10,19H,4,7H2,1-3H3,(H,16,18)
InChIKeyAHAIKMMXLPTMFE-UHFFFAOYSA-N
XLogP3.77
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 3-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol 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

3-[2-(dimethylamino)propylamino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol
CID 54913530
2-[(7-hydroxy-3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]acetamide
CID 16777146
3-(2,3-dimethylbutylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol
CID 64568288
1,7-dimethyl-3-[(2-methyl-3-pyridinyl)amino]-2,3-dihydro-1H-inden-4-ol
CID 79042004
5-ethyl-N-[3-(2-methylphenyl)cyclobutyl]-1,3,4-thiadiazol-2-amine
CID 107647620
3-[(3,5-dimethylcyclohexyl)amino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol
CID 64732473
1,7-dimethyl-3-(2,4,4-trimethylpentan-2-ylamino)-2,3-dihydro-1H-inden-4-ol
CID 43731248
1,7-dimethyl-3-(3,3,3-trifluoropropylamino)-2,3-dihydro-1H-inden-4-ol
CID 63226189
3-(3-hydroxybutylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol
CID 64913231
3-[(3-ethyl-2-methylcyclopentyl)amino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol
CID 64922351
1,7-dimethyl-3-[2-(1-methylimidazol-2-yl)ethylamino]-2,3-dihydro-1H-inden-4-ol
CID 61215281
1,7-dimethyl-3-[(6-methyl-3-pyridinyl)methylamino]-2,3-dihydro-1H-inden-4-ol
CID 62996680

Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 3-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol (CID 107647982) is 3-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 3-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 3-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol is CCc1nnc(NC2CC(C)c3c(C)ccc(O)c32)s1.
What is the InChIKey of 3-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol?
The InChIKey is AHAIKMMXLPTMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-4-12-17-18-15(20-12)16-10-7-9(3)13-8(2)5-6-11(19)14(10)13/h5-6,9-10,19H,4,7H2,1-3H3,(H,16,18).
What are the key properties of 3-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol?
3-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol has a molecular weight of 289.40 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 107647982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).