N-cyclohexyl-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine

C11H20N2S — CID 43439542

IUPACN-cyclohexyl-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1CSC(NC2CCCCC2)=N1
InChIInChI=1S/C11H20N2S/c1-2-9-8-14-11(12-9)13-10-6-4-3-5-7-10/h9-10H,2-8H2,1H3,(H,12,13)
InChIKeyXWJSRGBELFGXTP-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.79
Rot. Bonds2

About N-cyclohexyl-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine

N-cyclohexyl-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 43439542) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is N-cyclohexyl-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID43439542
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC NameN-cyclohexyl-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1CSC(NC2CCCCC2)=N1
InChIInChI=1S/C11H20N2S/c1-2-9-8-14-11(12-9)13-10-6-4-3-5-7-10/h9-10H,2-8H2,1H3,(H,12,13)
InChIKeyXWJSRGBELFGXTP-UHFFFAOYSA-N
XLogP2.79
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-cyclohexyl-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine (CID 43439542) is N-cyclohexyl-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-cyclohexyl-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-cyclohexyl-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine is CCC1CSC(NC2CCCCC2)=N1.
What is the InChIKey of N-cyclohexyl-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is XWJSRGBELFGXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-2-9-8-14-11(12-9)13-10-6-4-3-5-7-10/h9-10H,2-8H2,1H3,(H,12,13).
What are the key properties of N-cyclohexyl-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine?
N-cyclohexyl-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 212.36 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 43439542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).