4-N-(3-propyl-1,2,4-thiadiazol-5-yl)cyclohexane-1,4-diamine

C11H20N4S — CID 65271851

IUPAC4-N-(3-propyl-1,2,4-thiadiazol-5-yl)cyclohexane-1,4-diamine
SMILESCCCc1nsc(NC2CCC(N)CC2)n1
InChIInChI=1S/C11H20N4S/c1-2-3-10-14-11(16-15-10)13-9-6-4-8(12)5-7-9/h8-9H,2-7,12H2,1H3,(H,13,14,15)
InChIKeyVFYZOJVSVYPYBR-UHFFFAOYSA-N
MW240.38 g/mol
LogP2.17
Rot. Bonds4

About 4-N-(3-propyl-1,2,4-thiadiazol-5-yl)cyclohexane-1,4-diamine

4-N-(3-propyl-1,2,4-thiadiazol-5-yl)cyclohexane-1,4-diamine (PubChem CID 65271851) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is 4-N-(3-propyl-1,2,4-thiadiazol-5-yl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(3-propyl-1,2,4-thiadiazol-5-yl)cyclohexane-1,4-diamine
PubChem CID65271851
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Name4-N-(3-propyl-1,2,4-thiadiazol-5-yl)cyclohexane-1,4-diamine
SMILESCCCc1nsc(NC2CCC(N)CC2)n1
InChIInChI=1S/C11H20N4S/c1-2-3-10-14-11(16-15-10)13-9-6-4-8(12)5-7-9/h8-9H,2-7,12H2,1H3,(H,13,14,15)
InChIKeyVFYZOJVSVYPYBR-UHFFFAOYSA-N
XLogP2.17
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylcyclopentyl)-3-propyl-1,2,4-thiadiazol-5-amine
CID 114547755
N-(3,4-dimethylcyclohexyl)-3-propyl-1,2,4-thiadiazol-5-amine
CID 65274405
N-[3-(4-aminocyclohexyl)oxypropyl]-3-propyl-1,2,4-thiadiazol-5-amine
CID 65276170
N-piperidin-3-yl-3-propyl-1,2,4-thiadiazol-5-amine
CID 65275895
N-(2-methylpiperidin-4-yl)-3-propyl-1,2,4-thiadiazol-5-amine
CID 106996290
N-cyclopropyl-3-[(dimethylamino)methyl]-1,2,4-thiadiazol-5-amine
CID 79085318
2-amino-N-(3-propyl-1,2,4-thiadiazol-5-yl)acetamide
CID 130736061
N-(2-methylsulfanylcyclohexyl)-3-propyl-1,2,4-thiadiazol-5-amine
CID 114123761
1-cyclohexyl-N-(3-propyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
CID 115309534
N-[(4-chlorocyclohexyl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine
CID 106125743
3-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentan-1-ol
CID 106128094
N-cyclopropyl-3-(4-propylcyclohexyl)-1,2,4-thiadiazol-5-amine
CID 65400997

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-propyl-1,2,4-thiadiazol-5-yl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-(3-propyl-1,2,4-thiadiazol-5-yl)cyclohexane-1,4-diamine (CID 65271851) is 4-N-(3-propyl-1,2,4-thiadiazol-5-yl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(3-propyl-1,2,4-thiadiazol-5-yl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(3-propyl-1,2,4-thiadiazol-5-yl)cyclohexane-1,4-diamine is CCCc1nsc(NC2CCC(N)CC2)n1.
What is the InChIKey of 4-N-(3-propyl-1,2,4-thiadiazol-5-yl)cyclohexane-1,4-diamine?
The InChIKey is VFYZOJVSVYPYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-2-3-10-14-11(16-15-10)13-9-6-4-8(12)5-7-9/h8-9H,2-7,12H2,1H3,(H,13,14,15).
What are the key properties of 4-N-(3-propyl-1,2,4-thiadiazol-5-yl)cyclohexane-1,4-diamine?
4-N-(3-propyl-1,2,4-thiadiazol-5-yl)cyclohexane-1,4-diamine has a molecular weight of 240.38 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-propyl-1,2,4-thiadiazol-5-yl)cyclohexane-1,4-diamine is sourced from PubChem (CID 65271851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).