2-(4-methyl-1,3-thiazol-5-yl)ethyl octanoate

2-(4-methyl-1,3-thiazol-5-yl)ethyl octanoate

CAS: 163266-17-9

Formula: C14H23NO2S

SMILES: CCCCCCCC(=O)OCCC1=C(C)N=CS1

IUPAC: 2-(4-methyl-1,3-thiazol-5-yl)ethyl octanoate

InChI: InChI=1S/C14H23NO2S/c1-3-4-5-6-7-8-14(16)17-10-9-13-12(2)15-11-18-13/h11H,3-10H2,1-2H3

Composition: C (62.42%), H (8.61%), N (5.20%), O (11.88%), S (11.90%)

Molar Mass: 269.4

Atom Count: 41

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	269.144950159
Formal Charge	0
FSP3	0.71
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	OGJATLSJIMPQBD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	74.11
Topological Polar Surface Area	39.19
Polarizability	29.05
Ring Count	1
Rotatable Bond Count	10

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