4-N-(1,2,4-thiadiazol-5-yl)cyclohexane-1,4-diamine

C8H14N4S — CID 65271850

IUPAC4-N-(1,2,4-thiadiazol-5-yl)cyclohexane-1,4-diamine
SMILESNC1CCC(Nc2ncns2)CC1
InChIInChI=1S/C8H14N4S/c9-6-1-3-7(4-2-6)12-8-10-5-11-13-8/h5-7H,1-4,9H2,(H,10,11,12)
InChIKeyKAJQBMNELJPIBR-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.22
Rot. Bonds2

About 4-N-(1,2,4-thiadiazol-5-yl)cyclohexane-1,4-diamine

4-N-(1,2,4-thiadiazol-5-yl)cyclohexane-1,4-diamine (PubChem CID 65271850) has the molecular formula C8H14N4S and a molecular weight of 198.29 g/mol. Its IUPAC name is 4-N-(1,2,4-thiadiazol-5-yl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(1,2,4-thiadiazol-5-yl)cyclohexane-1,4-diamine
PubChem CID65271850
Molecular FormulaC8H14N4S
Molecular Weight198.29 g/mol
Exact Mass198.09
IUPAC Name4-N-(1,2,4-thiadiazol-5-yl)cyclohexane-1,4-diamine
SMILESNC1CCC(Nc2ncns2)CC1
InChIInChI=1S/C8H14N4S/c9-6-1-3-7(4-2-6)12-8-10-5-11-13-8/h5-7H,1-4,9H2,(H,10,11,12)
InChIKeyKAJQBMNELJPIBR-UHFFFAOYSA-N
XLogP1.22
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(1,2,4-thiadiazol-5-yl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-(1,2,4-thiadiazol-5-yl)cyclohexane-1,4-diamine (CID 65271850) is 4-N-(1,2,4-thiadiazol-5-yl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(1,2,4-thiadiazol-5-yl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(1,2,4-thiadiazol-5-yl)cyclohexane-1,4-diamine is NC1CCC(Nc2ncns2)CC1.
What is the InChIKey of 4-N-(1,2,4-thiadiazol-5-yl)cyclohexane-1,4-diamine?
The InChIKey is KAJQBMNELJPIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4S/c9-6-1-3-7(4-2-6)12-8-10-5-11-13-8/h5-7H,1-4,9H2,(H,10,11,12).
What are the key properties of 4-N-(1,2,4-thiadiazol-5-yl)cyclohexane-1,4-diamine?
4-N-(1,2,4-thiadiazol-5-yl)cyclohexane-1,4-diamine has a molecular weight of 198.29 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1,2,4-thiadiazol-5-yl)cyclohexane-1,4-diamine is sourced from PubChem (CID 65271850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).