4-N-(3-ethyl-1,2,4-thiadiazol-5-yl)-1-N,4-N-dimethylcyclohexane-1,4-diamine

C12H22N4S — CID 79110800

IUPAC4-N-(3-ethyl-1,2,4-thiadiazol-5-yl)-1-N,4-N-dimethylcyclohexane-1,4-diamine
SMILESCCc1nsc(N(C)C2CCC(NC)CC2)n1
InChIInChI=1S/C12H22N4S/c1-4-11-14-12(17-15-11)16(3)10-7-5-9(13-2)6-8-10/h9-10,13H,4-8H2,1-3H3
InChIKeyQHPJTHJMMHZCAY-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.07
Rot. Bonds4

About 4-N-(3-ethyl-1,2,4-thiadiazol-5-yl)-1-N,4-N-dimethylcyclohexane-1,4-diamine

4-N-(3-ethyl-1,2,4-thiadiazol-5-yl)-1-N,4-N-dimethylcyclohexane-1,4-diamine (PubChem CID 79110800) has the molecular formula C12H22N4S and a molecular weight of 254.40 g/mol. Its IUPAC name is 4-N-(3-ethyl-1,2,4-thiadiazol-5-yl)-1-N,4-N-dimethylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(3-ethyl-1,2,4-thiadiazol-5-yl)-1-N,4-N-dimethylcyclohexane-1,4-diamine
PubChem CID79110800
Molecular FormulaC12H22N4S
Molecular Weight254.40 g/mol
Exact Mass254.16
IUPAC Name4-N-(3-ethyl-1,2,4-thiadiazol-5-yl)-1-N,4-N-dimethylcyclohexane-1,4-diamine
SMILESCCc1nsc(N(C)C2CCC(NC)CC2)n1
InChIInChI=1S/C12H22N4S/c1-4-11-14-12(17-15-11)16(3)10-7-5-9(13-2)6-8-10/h9-10,13H,4-8H2,1-3H3
InChIKeyQHPJTHJMMHZCAY-UHFFFAOYSA-N
XLogP2.07
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3-ethyl-1,2,4-thiadiazol-5-yl)-1-N,4-N-dimethylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-(3-ethyl-1,2,4-thiadiazol-5-yl)-1-N,4-N-dimethylcyclohexane-1,4-diamine (CID 79110800) is 4-N-(3-ethyl-1,2,4-thiadiazol-5-yl)-1-N,4-N-dimethylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(3-ethyl-1,2,4-thiadiazol-5-yl)-1-N,4-N-dimethylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(3-ethyl-1,2,4-thiadiazol-5-yl)-1-N,4-N-dimethylcyclohexane-1,4-diamine is CCc1nsc(N(C)C2CCC(NC)CC2)n1.
What is the InChIKey of 4-N-(3-ethyl-1,2,4-thiadiazol-5-yl)-1-N,4-N-dimethylcyclohexane-1,4-diamine?
The InChIKey is QHPJTHJMMHZCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S/c1-4-11-14-12(17-15-11)16(3)10-7-5-9(13-2)6-8-10/h9-10,13H,4-8H2,1-3H3.
What are the key properties of 4-N-(3-ethyl-1,2,4-thiadiazol-5-yl)-1-N,4-N-dimethylcyclohexane-1,4-diamine?
4-N-(3-ethyl-1,2,4-thiadiazol-5-yl)-1-N,4-N-dimethylcyclohexane-1,4-diamine has a molecular weight of 254.40 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-ethyl-1,2,4-thiadiazol-5-yl)-1-N,4-N-dimethylcyclohexane-1,4-diamine is sourced from PubChem (CID 79110800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).