4-methyl-5-(7-methyl-3-methylideneoctyl)-1,3-thiazole

C14H23NS — CID 155442020

IUPAC4-methyl-5-(7-methyl-3-methylideneoctyl)-1,3-thiazole
SMILESC=C(CCCC(C)C)CCc1scnc1C
InChIInChI=1S/C14H23NS/c1-11(2)6-5-7-12(3)8-9-14-13(4)15-10-16-14/h10-11H,3,5-9H2,1-2,4H3
InChIKeyMMOXROYESJURBV-UHFFFAOYSA-N
MW237.41 g/mol
LogP4.77
Rot. Bonds7

About 4-methyl-5-(7-methyl-3-methylideneoctyl)-1,3-thiazole

4-methyl-5-(7-methyl-3-methylideneoctyl)-1,3-thiazole (PubChem CID 155442020) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is 4-methyl-5-(7-methyl-3-methylideneoctyl)-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-(7-methyl-3-methylideneoctyl)-1,3-thiazole
PubChem CID155442020
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC Name4-methyl-5-(7-methyl-3-methylideneoctyl)-1,3-thiazole
SMILESC=C(CCCC(C)C)CCc1scnc1C
InChIInChI=1S/C14H23NS/c1-11(2)6-5-7-12(3)8-9-14-13(4)15-10-16-14/h10-11H,3,5-9H2,1-2,4H3
InChIKeyMMOXROYESJURBV-UHFFFAOYSA-N
XLogP4.77
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 54.77
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-(7-methyl-3-methylideneoctyl)-1,3-thiazole?
The IUPAC name of 4-methyl-5-(7-methyl-3-methylideneoctyl)-1,3-thiazole (CID 155442020) is 4-methyl-5-(7-methyl-3-methylideneoctyl)-1,3-thiazole.
What is the SMILES notation for 4-methyl-5-(7-methyl-3-methylideneoctyl)-1,3-thiazole?
The canonical SMILES for 4-methyl-5-(7-methyl-3-methylideneoctyl)-1,3-thiazole is C=C(CCCC(C)C)CCc1scnc1C.
What is the InChIKey of 4-methyl-5-(7-methyl-3-methylideneoctyl)-1,3-thiazole?
The InChIKey is MMOXROYESJURBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-11(2)6-5-7-12(3)8-9-14-13(4)15-10-16-14/h10-11H,3,5-9H2,1-2,4H3.
What are the key properties of 4-methyl-5-(7-methyl-3-methylideneoctyl)-1,3-thiazole?
4-methyl-5-(7-methyl-3-methylideneoctyl)-1,3-thiazole has a molecular weight of 237.41 g/mol, XLogP of 4.77, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(7-methyl-3-methylideneoctyl)-1,3-thiazole is sourced from PubChem (CID 155442020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).