5-[[6-(1-aminoethyl)-3-pyridinyl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine

C11H15N5S2 — CID 83123666

IUPAC5-[[6-(1-aminoethyl)-3-pyridinyl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCC(N)c1ccc(Sc2nnc(N(C)C)s2)cn1
InChIInChI=1S/C11H15N5S2/c1-7(12)9-5-4-8(6-13-9)17-11-15-14-10(18-11)16(2)3/h4-7H,12H2,1-3H3
InChIKeyJIUOVWAWFVKMID-UHFFFAOYSA-N
MW281.41 g/mol
LogP2.17
Rot. Bonds4

About 5-[[6-(1-aminoethyl)-3-pyridinyl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine

5-[[6-(1-aminoethyl)-3-pyridinyl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 83123666) has the molecular formula C11H15N5S2 and a molecular weight of 281.41 g/mol. Its IUPAC name is 5-[[6-(1-aminoethyl)-3-pyridinyl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[[6-(1-aminoethyl)-3-pyridinyl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID83123666
Molecular FormulaC11H15N5S2
Molecular Weight281.41 g/mol
Exact Mass281.08
IUPAC Name5-[[6-(1-aminoethyl)-3-pyridinyl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCC(N)c1ccc(Sc2nnc(N(C)C)s2)cn1
InChIInChI=1S/C11H15N5S2/c1-7(12)9-5-4-8(6-13-9)17-11-15-14-10(18-11)16(2)3/h4-7H,12H2,1-3H3
InChIKeyJIUOVWAWFVKMID-UHFFFAOYSA-N
XLogP2.17
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.41
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[6-(1-aminoethyl)-3-pyridinyl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[[6-(1-aminoethyl)-3-pyridinyl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 83123666) is 5-[[6-(1-aminoethyl)-3-pyridinyl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[[6-(1-aminoethyl)-3-pyridinyl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[[6-(1-aminoethyl)-3-pyridinyl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is CC(N)c1ccc(Sc2nnc(N(C)C)s2)cn1.
What is the InChIKey of 5-[[6-(1-aminoethyl)-3-pyridinyl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is JIUOVWAWFVKMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5S2/c1-7(12)9-5-4-8(6-13-9)17-11-15-14-10(18-11)16(2)3/h4-7H,12H2,1-3H3.
What are the key properties of 5-[[6-(1-aminoethyl)-3-pyridinyl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-[[6-(1-aminoethyl)-3-pyridinyl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 281.41 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-(1-aminoethyl)-3-pyridinyl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 83123666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).