N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylcyclohex-3-ene-1-carboxamide

C15H22N2O2S — CID 71861415

IUPACN-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylcyclohex-3-ene-1-carboxamide
SMILESCOC(C)c1nc(CN(C)C(=O)C2CC=CCC2)cs1
InChIInChI=1S/C15H22N2O2S/c1-11(19-3)14-16-13(10-20-14)9-17(2)15(18)12-7-5-4-6-8-12/h4-5,10-12H,6-9H2,1-3H3
InChIKeyHUYLDRGCLHTEDT-UHFFFAOYSA-N
MW294.42 g/mol
LogP3.17
Rot. Bonds5

About N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylcyclohex-3-ene-1-carboxamide

N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylcyclohex-3-ene-1-carboxamide (PubChem CID 71861415) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylcyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylcyclohex-3-ene-1-carboxamide
PubChem CID71861415
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC NameN-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylcyclohex-3-ene-1-carboxamide
SMILESCOC(C)c1nc(CN(C)C(=O)C2CC=CCC2)cs1
InChIInChI=1S/C15H22N2O2S/c1-11(19-3)14-16-13(10-20-14)9-17(2)15(18)12-7-5-4-6-8-12/h4-5,10-12H,6-9H2,1-3H3
InChIKeyHUYLDRGCLHTEDT-UHFFFAOYSA-N
XLogP3.17
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylcyclohex-3-ene-1-carboxamide?
The IUPAC name of N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylcyclohex-3-ene-1-carboxamide (CID 71861415) is N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylcyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylcyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylcyclohex-3-ene-1-carboxamide is COC(C)c1nc(CN(C)C(=O)C2CC=CCC2)cs1.
What is the InChIKey of N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylcyclohex-3-ene-1-carboxamide?
The InChIKey is HUYLDRGCLHTEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-11(19-3)14-16-13(10-20-14)9-17(2)15(18)12-7-5-4-6-8-12/h4-5,10-12H,6-9H2,1-3H3.
What are the key properties of N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylcyclohex-3-ene-1-carboxamide?
N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylcyclohex-3-ene-1-carboxamide has a molecular weight of 294.42 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylcyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 71861415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).