2-cyclohexyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine

C14H24N2S — CID 55035150

IUPAC2-cyclohexyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
SMILESCc1ncsc1CCNCCC1CCCCC1
InChIInChI=1S/C14H24N2S/c1-12-14(17-11-16-12)8-10-15-9-7-13-5-3-2-4-6-13/h11,13,15H,2-10H2,1H3
InChIKeyAVELHJVZBTZVQN-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.55
Rot. Bonds6

About 2-cyclohexyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine

2-cyclohexyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine (PubChem CID 55035150) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 2-cyclohexyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine.

Molecular Properties

Compound Name2-cyclohexyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
PubChem CID55035150
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name2-cyclohexyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
SMILESCc1ncsc1CCNCCC1CCCCC1
InChIInChI=1S/C14H24N2S/c1-12-14(17-11-16-12)8-10-15-9-7-13-5-3-2-4-6-13/h11,13,15H,2-10H2,1H3
InChIKeyAVELHJVZBTZVQN-UHFFFAOYSA-N
XLogP3.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine?
The IUPAC name of 2-cyclohexyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine (CID 55035150) is 2-cyclohexyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine.
What is the SMILES notation for 2-cyclohexyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine?
The canonical SMILES for 2-cyclohexyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine is Cc1ncsc1CCNCCC1CCCCC1.
What is the InChIKey of 2-cyclohexyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine?
The InChIKey is AVELHJVZBTZVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-12-14(17-11-16-12)8-10-15-9-7-13-5-3-2-4-6-13/h11,13,15H,2-10H2,1H3.
What are the key properties of 2-cyclohexyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine?
2-cyclohexyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine has a molecular weight of 252.43 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine is sourced from PubChem (CID 55035150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).