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

C12H13N3S2 — CID 80614151

IUPAC5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(CSc2ccc3c(c2)CCC3)s1
InChIInChI=1S/C12H13N3S2/c13-12-15-14-11(17-12)7-16-10-5-4-8-2-1-3-9(8)6-10/h4-6H,1-3,7H2,(H2,13,15)
InChIKeyHUUBRJFWTCKARI-UHFFFAOYSA-N
MW263.39 g/mol
LogP2.90
Rot. Bonds3

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

5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 80614151) has the molecular formula C12H13N3S2 and a molecular weight of 263.39 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-1,3,4-thiadiazol-2-amine
PubChem CID80614151
Molecular FormulaC12H13N3S2
Molecular Weight263.39 g/mol
Exact Mass263.06
IUPAC Name5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(CSc2ccc3c(c2)CCC3)s1
InChIInChI=1S/C12H13N3S2/c13-12-15-14-11(17-12)7-16-10-5-4-8-2-1-3-9(8)6-10/h4-6H,1-3,7H2,(H2,13,15)
InChIKeyHUUBRJFWTCKARI-UHFFFAOYSA-N
XLogP2.90
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 52.90
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)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-1,3,4-thiadiazol-2-amine (CID 80614151) is 5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-1,3,4-thiadiazol-2-amine is Nc1nnc(CSc2ccc3c(c2)CCC3)s1.
What is the InChIKey of 5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is HUUBRJFWTCKARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3S2/c13-12-15-14-11(17-12)7-16-10-5-4-8-2-1-3-9(8)6-10/h4-6H,1-3,7H2,(H2,13,15).
What are the key properties of 5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-1,3,4-thiadiazol-2-amine?
5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 263.39 g/mol, XLogP of 2.90, 3 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)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80614151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).