5-N-hexan-3-yl-1,2,4-thiadiazole-3,5-diamine

C8H16N4S — CID 66277908

IUPAC5-N-hexan-3-yl-1,2,4-thiadiazole-3,5-diamine
SMILESCCCC(CC)Nc1nc(N)ns1
InChIInChI=1S/C8H16N4S/c1-3-5-6(4-2)10-8-11-7(9)12-13-8/h6H,3-5H2,1-2H3,(H3,9,10,11,12)
InChIKeyVWBWFSZSOPNQIP-UHFFFAOYSA-N
MW200.31 g/mol
LogP2.11
Rot. Bonds5

About 5-N-hexan-3-yl-1,2,4-thiadiazole-3,5-diamine

5-N-hexan-3-yl-1,2,4-thiadiazole-3,5-diamine (PubChem CID 66277908) has the molecular formula C8H16N4S and a molecular weight of 200.31 g/mol. Its IUPAC name is 5-N-hexan-3-yl-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-hexan-3-yl-1,2,4-thiadiazole-3,5-diamine
PubChem CID66277908
Molecular FormulaC8H16N4S
Molecular Weight200.31 g/mol
Exact Mass200.11
IUPAC Name5-N-hexan-3-yl-1,2,4-thiadiazole-3,5-diamine
SMILESCCCC(CC)Nc1nc(N)ns1
InChIInChI=1S/C8H16N4S/c1-3-5-6(4-2)10-8-11-7(9)12-13-8/h6H,3-5H2,1-2H3,(H3,9,10,11,12)
InChIKeyVWBWFSZSOPNQIP-UHFFFAOYSA-N
XLogP2.11
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-N,5-N-diethyl-1,2,4-thiadiazole-3,5-diamine
CID 44452499
5-N-butyl-1,2,4-thiadiazole-3,5-diamine
CID 2803931
5-N-ethyl-1,2,4-thiadiazole-3,5-diamine
CID 55281762
5-N-propyl-1,2,4-thiadiazole-3,5-diamine
CID 65440648
5-N-cyclohexyl-1,2,4-thiadiazole-3,5-diamine
CID 66279204
5-N-(4,4,4-trifluorobutan-2-yl)-1,2,4-thiadiazole-3,5-diamine
CID 105939502
3-chloro-N-cyclohexyl-1,2,4-thiadiazol-5-amine
CID 32081294
3-N,5-N-di(butan-2-yl)-1,2,4-thiadiazole-3,5-diamine
CID 10489552
3-N,3-N-dimethyl-5-N-propan-2-yl-1,2,4-thiadiazole-3,5-diamine
CID 65269163
3-piperidin-1-yl-N-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65269164
5-N-propan-2-yl-1,2,4-thiadiazole-3,5-diamine
CID 66279423
5-(4-aminopiperidin-1-yl)-N,N-dimethyl-1,2,4-thiadiazol-3-amine
CID 89542793

Frequently Asked Questions

What is the IUPAC name of 5-N-hexan-3-yl-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 5-N-hexan-3-yl-1,2,4-thiadiazole-3,5-diamine (CID 66277908) is 5-N-hexan-3-yl-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 5-N-hexan-3-yl-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 5-N-hexan-3-yl-1,2,4-thiadiazole-3,5-diamine is CCCC(CC)Nc1nc(N)ns1.
What is the InChIKey of 5-N-hexan-3-yl-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is VWBWFSZSOPNQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4S/c1-3-5-6(4-2)10-8-11-7(9)12-13-8/h6H,3-5H2,1-2H3,(H3,9,10,11,12).
What are the key properties of 5-N-hexan-3-yl-1,2,4-thiadiazole-3,5-diamine?
5-N-hexan-3-yl-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 200.31 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-hexan-3-yl-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 66277908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).