N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine

C14H17N3S — CID 133417009

IUPACN-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCCC2Cc3ccccc3C2)s1
InChIInChI=1S/C14H17N3S/c1-10-16-17-14(18-10)15-7-6-11-8-12-4-2-3-5-13(12)9-11/h2-5,11H,6-9H2,1H3,(H,15,17)
InChIKeyUBZWOHGUCFCRFI-UHFFFAOYSA-N
MW259.38 g/mol
LogP3.06
Rot. Bonds4

About N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine

N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 133417009) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine
PubChem CID133417009
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC NameN-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCCC2Cc3ccccc3C2)s1
InChIInChI=1S/C14H17N3S/c1-10-16-17-14(18-10)15-7-6-11-8-12-4-2-3-5-13(12)9-11/h2-5,11H,6-9H2,1H3,(H,15,17)
InChIKeyUBZWOHGUCFCRFI-UHFFFAOYSA-N
XLogP3.06
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine (CID 133417009) is N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine is Cc1nnc(NCCC2Cc3ccccc3C2)s1.
What is the InChIKey of N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is UBZWOHGUCFCRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-10-16-17-14(18-10)15-7-6-11-8-12-4-2-3-5-13(12)9-11/h2-5,11H,6-9H2,1H3,(H,15,17).
What are the key properties of N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine?
N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 259.38 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 133417009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).