3-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-indene-1,3-diamine

C15H20N4S — CID 106260901

IUPAC3-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-indene-1,3-diamine
SMILESCC(C)Cc1nnc(NC2CC(N)c3ccccc32)s1
InChIInChI=1S/C15H20N4S/c1-9(2)7-14-18-19-15(20-14)17-13-8-12(16)10-5-3-4-6-11(10)13/h3-6,9,12-13H,7-8,16H2,1-2H3,(H,17,19)
InChIKeySJURUAAKMJOWST-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.29
Rot. Bonds4

About 3-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-indene-1,3-diamine

3-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-indene-1,3-diamine (PubChem CID 106260901) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is 3-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-indene-1,3-diamine.

Molecular Properties

Compound Name3-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-indene-1,3-diamine
PubChem CID106260901
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name3-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-indene-1,3-diamine
SMILESCC(C)Cc1nnc(NC2CC(N)c3ccccc32)s1
InChIInChI=1S/C15H20N4S/c1-9(2)7-14-18-19-15(20-14)17-13-8-12(16)10-5-3-4-6-11(10)13/h3-6,9,12-13H,7-8,16H2,1-2H3,(H,17,19)
InChIKeySJURUAAKMJOWST-UHFFFAOYSA-N
XLogP3.29
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-indene-1,3-diamine?
The IUPAC name of 3-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-indene-1,3-diamine (CID 106260901) is 3-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-indene-1,3-diamine.
What is the SMILES notation for 3-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-indene-1,3-diamine?
The canonical SMILES for 3-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-indene-1,3-diamine is CC(C)Cc1nnc(NC2CC(N)c3ccccc32)s1.
What is the InChIKey of 3-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-indene-1,3-diamine?
The InChIKey is SJURUAAKMJOWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c1-9(2)7-14-18-19-15(20-14)17-13-8-12(16)10-5-3-4-6-11(10)13/h3-6,9,12-13H,7-8,16H2,1-2H3,(H,17,19).
What are the key properties of 3-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-indene-1,3-diamine?
3-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-indene-1,3-diamine has a molecular weight of 288.42 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-indene-1,3-diamine is sourced from PubChem (CID 106260901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).