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

C13H15N3S2 — CID 80614354

IUPAC5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(CSc2ccc3c(c2)CCC3)s1
InChIInChI=1S/C13H15N3S2/c1-14-13-16-15-12(18-13)8-17-11-6-5-9-3-2-4-10(9)7-11/h5-7H,2-4,8H2,1H3,(H,14,16)
InChIKeySVZNLLYETCKZCB-UHFFFAOYSA-N
MW277.42 g/mol
LogP3.36
Rot. Bonds4

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

5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-N-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 80614354) has the molecular formula C13H15N3S2 and a molecular weight of 277.42 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-N-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-N-methyl-1,3,4-thiadiazol-2-amine
PubChem CID80614354
Molecular FormulaC13H15N3S2
Molecular Weight277.42 g/mol
Exact Mass277.07
IUPAC Name5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(CSc2ccc3c(c2)CCC3)s1
InChIInChI=1S/C13H15N3S2/c1-14-13-16-15-12(18-13)8-17-11-6-5-9-3-2-4-10(9)7-11/h5-7H,2-4,8H2,1H3,(H,14,16)
InChIKeySVZNLLYETCKZCB-UHFFFAOYSA-N
XLogP3.36
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-N-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-N-methyl-1,3,4-thiadiazol-2-amine (CID 80614354) is 5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-N-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-N-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-N-methyl-1,3,4-thiadiazol-2-amine is CNc1nnc(CSc2ccc3c(c2)CCC3)s1.
What is the InChIKey of 5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-N-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is SVZNLLYETCKZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S2/c1-14-13-16-15-12(18-13)8-17-11-6-5-9-3-2-4-10(9)7-11/h5-7H,2-4,8H2,1H3,(H,14,16).
What are the key properties of 5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-N-methyl-1,3,4-thiadiazol-2-amine?
5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-N-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 277.42 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-N-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80614354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).