N-(6-methyl-2,3-dihydro-1H-inden-1-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine

C16H21N3S — CID 106260724

IUPACN-(6-methyl-2,3-dihydro-1H-inden-1-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
SMILESCc1ccc2c(c1)C(Nc1nnc(CC(C)C)s1)CC2
InChIInChI=1S/C16H21N3S/c1-10(2)8-15-18-19-16(20-15)17-14-7-6-12-5-4-11(3)9-13(12)14/h4-5,9-10,14H,6-8H2,1-3H3,(H,17,19)
InChIKeyINCOKPLJQVWCDC-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.14
Rot. Bonds4

About N-(6-methyl-2,3-dihydro-1H-inden-1-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine

N-(6-methyl-2,3-dihydro-1H-inden-1-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine (PubChem CID 106260724) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is N-(6-methyl-2,3-dihydro-1H-inden-1-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(6-methyl-2,3-dihydro-1H-inden-1-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
PubChem CID106260724
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC NameN-(6-methyl-2,3-dihydro-1H-inden-1-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
SMILESCc1ccc2c(c1)C(Nc1nnc(CC(C)C)s1)CC2
InChIInChI=1S/C16H21N3S/c1-10(2)8-15-18-19-16(20-15)17-14-7-6-12-5-4-11(3)9-13(12)14/h4-5,9-10,14H,6-8H2,1-3H3,(H,17,19)
InChIKeyINCOKPLJQVWCDC-UHFFFAOYSA-N
XLogP4.14
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(6-methyl-2,3-dihydro-1H-inden-1-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2,3-dihydro-1H-inden-1-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(6-methyl-2,3-dihydro-1H-inden-1-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine (CID 106260724) is N-(6-methyl-2,3-dihydro-1H-inden-1-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(6-methyl-2,3-dihydro-1H-inden-1-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(6-methyl-2,3-dihydro-1H-inden-1-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine is Cc1ccc2c(c1)C(Nc1nnc(CC(C)C)s1)CC2.
What is the InChIKey of N-(6-methyl-2,3-dihydro-1H-inden-1-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is INCOKPLJQVWCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-10(2)8-15-18-19-16(20-15)17-14-7-6-12-5-4-11(3)9-13(12)14/h4-5,9-10,14H,6-8H2,1-3H3,(H,17,19).
What are the key properties of N-(6-methyl-2,3-dihydro-1H-inden-1-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
N-(6-methyl-2,3-dihydro-1H-inden-1-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 287.43 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2,3-dihydro-1H-inden-1-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 106260724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).