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

C14H17N3S2 — CID 80614050

IUPAC5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(CSc2ccc3c(c2)CCC3)s1
InChIInChI=1S/C14H17N3S2/c1-2-15-14-17-16-13(19-14)9-18-12-7-6-10-4-3-5-11(10)8-12/h6-8H,2-5,9H2,1H3,(H,15,17)
InChIKeyPZYKDEURMLMQRP-UHFFFAOYSA-N
MW291.45 g/mol
LogP3.75
Rot. Bonds5

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

5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine (PubChem CID 80614050) has the molecular formula C14H17N3S2 and a molecular weight of 291.45 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine
PubChem CID80614050
Molecular FormulaC14H17N3S2
Molecular Weight291.45 g/mol
Exact Mass291.09
IUPAC Name5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(CSc2ccc3c(c2)CCC3)s1
InChIInChI=1S/C14H17N3S2/c1-2-15-14-17-16-13(19-14)9-18-12-7-6-10-4-3-5-11(10)8-12/h6-8H,2-5,9H2,1H3,(H,15,17)
InChIKeyPZYKDEURMLMQRP-UHFFFAOYSA-N
XLogP3.75
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.45
LogP ≤ 53.75
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-ethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine (CID 80614050) is 5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine is CCNc1nnc(CSc2ccc3c(c2)CCC3)s1.
What is the InChIKey of 5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is PZYKDEURMLMQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S2/c1-2-15-14-17-16-13(19-14)9-18-12-7-6-10-4-3-5-11(10)8-12/h6-8H,2-5,9H2,1H3,(H,15,17).
What are the key properties of 5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine?
5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 291.45 g/mol, XLogP of 3.75, 5 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-ethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80614050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).