1-N-[2-(1,3-thiazol-4-yl)ethyl]cyclohexane-1,3-diamine

C11H19N3S — CID 79458882

IUPAC1-N-[2-(1,3-thiazol-4-yl)ethyl]cyclohexane-1,3-diamine
SMILESNC1CCCC(NCCc2cscn2)C1
InChIInChI=1S/C11H19N3S/c12-9-2-1-3-10(6-9)13-5-4-11-7-15-8-14-11/h7-10,13H,1-6,12H2
InChIKeyZDZOLYWIWZPYJW-UHFFFAOYSA-N
MW225.36 g/mol
LogP1.55
Rot. Bonds4

About 1-N-[2-(1,3-thiazol-4-yl)ethyl]cyclohexane-1,3-diamine

1-N-[2-(1,3-thiazol-4-yl)ethyl]cyclohexane-1,3-diamine (PubChem CID 79458882) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 1-N-[2-(1,3-thiazol-4-yl)ethyl]cyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-[2-(1,3-thiazol-4-yl)ethyl]cyclohexane-1,3-diamine
PubChem CID79458882
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name1-N-[2-(1,3-thiazol-4-yl)ethyl]cyclohexane-1,3-diamine
SMILESNC1CCCC(NCCc2cscn2)C1
InChIInChI=1S/C11H19N3S/c12-9-2-1-3-10(6-9)13-5-4-11-7-15-8-14-11/h7-10,13H,1-6,12H2
InChIKeyZDZOLYWIWZPYJW-UHFFFAOYSA-N
XLogP1.55
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(1,3-thiazol-4-yl)ethyl]cyclohexane-1,3-diamine?
The IUPAC name of 1-N-[2-(1,3-thiazol-4-yl)ethyl]cyclohexane-1,3-diamine (CID 79458882) is 1-N-[2-(1,3-thiazol-4-yl)ethyl]cyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-[2-(1,3-thiazol-4-yl)ethyl]cyclohexane-1,3-diamine?
The canonical SMILES for 1-N-[2-(1,3-thiazol-4-yl)ethyl]cyclohexane-1,3-diamine is NC1CCCC(NCCc2cscn2)C1.
What is the InChIKey of 1-N-[2-(1,3-thiazol-4-yl)ethyl]cyclohexane-1,3-diamine?
The InChIKey is ZDZOLYWIWZPYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c12-9-2-1-3-10(6-9)13-5-4-11-7-15-8-14-11/h7-10,13H,1-6,12H2.
What are the key properties of 1-N-[2-(1,3-thiazol-4-yl)ethyl]cyclohexane-1,3-diamine?
1-N-[2-(1,3-thiazol-4-yl)ethyl]cyclohexane-1,3-diamine has a molecular weight of 225.36 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(1,3-thiazol-4-yl)ethyl]cyclohexane-1,3-diamine is sourced from PubChem (CID 79458882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).