5-(2-methylnonan-2-yl)-1,2-thiazole

C13H23NS — CID 146620702

IUPAC5-(2-methylnonan-2-yl)-1,2-thiazole
SMILESCCCCCCCC(C)(C)c1ccns1
InChIInChI=1S/C13H23NS/c1-4-5-6-7-8-10-13(2,3)12-9-11-14-15-12/h9,11H,4-8,10H2,1-3H3
InChIKeyZTKMBQFTRZEDCA-UHFFFAOYSA-N
MW225.40 g/mol
LogP4.78
Rot. Bonds7

About 5-(2-methylnonan-2-yl)-1,2-thiazole

5-(2-methylnonan-2-yl)-1,2-thiazole (PubChem CID 146620702) has the molecular formula C13H23NS and a molecular weight of 225.40 g/mol. Its IUPAC name is 5-(2-methylnonan-2-yl)-1,2-thiazole.

Molecular Properties

Compound Name5-(2-methylnonan-2-yl)-1,2-thiazole
PubChem CID146620702
Molecular FormulaC13H23NS
Molecular Weight225.40 g/mol
Exact Mass225.16
IUPAC Name5-(2-methylnonan-2-yl)-1,2-thiazole
SMILESCCCCCCCC(C)(C)c1ccns1
InChIInChI=1S/C13H23NS/c1-4-5-6-7-8-10-13(2,3)12-9-11-14-15-12/h9,11H,4-8,10H2,1-3H3
InChIKeyZTKMBQFTRZEDCA-UHFFFAOYSA-N
XLogP4.78
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.40
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methyloctan-2-yl)pyridine
CID 126558457
3,6-bis(2-methylheptan-2-yl)benzene-1,2-diol
CID 54503359
2,6-bis(2-methyloctan-2-yl)phenol
CID 87300429
5-dodecan-6-yl-1,2-thiazole
CID 134557589
13-methyl-13-octylhentriacontane
CID 173152457
11-methyl-11-nonylhenicosane
CID 19690388
1-methyl-2-(2-methylnonan-2-yl)benzene
CID 173398829
2-methylpentacosan-2-amine;hydrochloride
CID 173079320
2-methyltricosan-2-amine;hydrochloride
CID 146444056
4-(5-methylundecan-5-yl)pyridine
CID 146178387
2-phenylicosan-2-amine;hydrochloride
CID 173065845
5-butyl-5-methylpentadecane
CID 174700907

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylnonan-2-yl)-1,2-thiazole?
The IUPAC name of 5-(2-methylnonan-2-yl)-1,2-thiazole (CID 146620702) is 5-(2-methylnonan-2-yl)-1,2-thiazole.
What is the SMILES notation for 5-(2-methylnonan-2-yl)-1,2-thiazole?
The canonical SMILES for 5-(2-methylnonan-2-yl)-1,2-thiazole is CCCCCCCC(C)(C)c1ccns1.
What is the InChIKey of 5-(2-methylnonan-2-yl)-1,2-thiazole?
The InChIKey is ZTKMBQFTRZEDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NS/c1-4-5-6-7-8-10-13(2,3)12-9-11-14-15-12/h9,11H,4-8,10H2,1-3H3.
What are the key properties of 5-(2-methylnonan-2-yl)-1,2-thiazole?
5-(2-methylnonan-2-yl)-1,2-thiazole has a molecular weight of 225.40 g/mol, XLogP of 4.78, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylnonan-2-yl)-1,2-thiazole is sourced from PubChem (CID 146620702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).