4-methyl-5-(4-prop-1-en-2-ylcyclohexyl)-1,3-thiazole

C13H19NS — CID 176552899

IUPAC4-methyl-5-(4-prop-1-en-2-ylcyclohexyl)-1,3-thiazole
SMILESC=C(C)C1CCC(c2scnc2C)CC1
InChIInChI=1S/C13H19NS/c1-9(2)11-4-6-12(7-5-11)13-10(3)14-8-15-13/h8,11-12H,1,4-7H2,2-3H3
InChIKeyMJPSPFZMVMMWMG-UHFFFAOYSA-N
MW221.37 g/mol
LogP4.30
Rot. Bonds2

About 4-methyl-5-(4-prop-1-en-2-ylcyclohexyl)-1,3-thiazole

4-methyl-5-(4-prop-1-en-2-ylcyclohexyl)-1,3-thiazole (PubChem CID 176552899) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is 4-methyl-5-(4-prop-1-en-2-ylcyclohexyl)-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-(4-prop-1-en-2-ylcyclohexyl)-1,3-thiazole
PubChem CID176552899
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC Name4-methyl-5-(4-prop-1-en-2-ylcyclohexyl)-1,3-thiazole
SMILESC=C(C)C1CCC(c2scnc2C)CC1
InChIInChI=1S/C13H19NS/c1-9(2)11-4-6-12(7-5-11)13-10(3)14-8-15-13/h8,11-12H,1,4-7H2,2-3H3
InChIKeyMJPSPFZMVMMWMG-UHFFFAOYSA-N
XLogP4.30
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 4-methyl-5-(4-prop-1-en-2-ylcyclohexyl)-1,3-thiazole?
The IUPAC name of 4-methyl-5-(4-prop-1-en-2-ylcyclohexyl)-1,3-thiazole (CID 176552899) is 4-methyl-5-(4-prop-1-en-2-ylcyclohexyl)-1,3-thiazole.
What is the SMILES notation for 4-methyl-5-(4-prop-1-en-2-ylcyclohexyl)-1,3-thiazole?
The canonical SMILES for 4-methyl-5-(4-prop-1-en-2-ylcyclohexyl)-1,3-thiazole is C=C(C)C1CCC(c2scnc2C)CC1.
What is the InChIKey of 4-methyl-5-(4-prop-1-en-2-ylcyclohexyl)-1,3-thiazole?
The InChIKey is MJPSPFZMVMMWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS/c1-9(2)11-4-6-12(7-5-11)13-10(3)14-8-15-13/h8,11-12H,1,4-7H2,2-3H3.
What are the key properties of 4-methyl-5-(4-prop-1-en-2-ylcyclohexyl)-1,3-thiazole?
4-methyl-5-(4-prop-1-en-2-ylcyclohexyl)-1,3-thiazole has a molecular weight of 221.37 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(4-prop-1-en-2-ylcyclohexyl)-1,3-thiazole is sourced from PubChem (CID 176552899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).