N-[2-(2-hexylphenyl)ethyl]-5-methyl-1,3-thiazol-2-amine

C18H26N2S — CID 139744786

IUPACN-[2-(2-hexylphenyl)ethyl]-5-methyl-1,3-thiazol-2-amine
SMILESCCCCCCc1ccccc1CCNc1ncc(C)s1
InChIInChI=1S/C18H26N2S/c1-3-4-5-6-9-16-10-7-8-11-17(16)12-13-19-18-20-14-15(2)21-18/h7-8,10-11,14H,3-6,9,12-13H2,1-2H3,(H,19,20)
InChIKeyJTGUFUWVRZKWBR-UHFFFAOYSA-N
MW302.49 g/mol
LogP5.23
Rot. Bonds9

About N-[2-(2-hexylphenyl)ethyl]-5-methyl-1,3-thiazol-2-amine

N-[2-(2-hexylphenyl)ethyl]-5-methyl-1,3-thiazol-2-amine (PubChem CID 139744786) has the molecular formula C18H26N2S and a molecular weight of 302.49 g/mol. Its IUPAC name is N-[2-(2-hexylphenyl)ethyl]-5-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-(2-hexylphenyl)ethyl]-5-methyl-1,3-thiazol-2-amine
PubChem CID139744786
Molecular FormulaC18H26N2S
Molecular Weight302.49 g/mol
Exact Mass302.18
IUPAC NameN-[2-(2-hexylphenyl)ethyl]-5-methyl-1,3-thiazol-2-amine
SMILESCCCCCCc1ccccc1CCNc1ncc(C)s1
InChIInChI=1S/C18H26N2S/c1-3-4-5-6-9-16-10-7-8-11-17(16)12-13-19-18-20-14-15(2)21-18/h7-8,10-11,14H,3-6,9,12-13H2,1-2H3,(H,19,20)
InChIKeyJTGUFUWVRZKWBR-UHFFFAOYSA-N
XLogP5.23
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.49
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-dodecyl-2-hexylbenzene
CID 19371073
1-nonyl-2-pentylbenzene
CID 54050070
1-hexadecyl-2-pentylbenzene
CID 53438584
1,2-di(nonadecyl)benzene
CID 101289987
1,2-di(undecyl)benzene
CID 3019479
1,2-dihexylbenzene;hydrate
CID 172833093
2-hexyl-5-methyl-1,3-thiazole
CID 91750864
N-[2-(2,6-dimethylphenyl)heptyl]-5-methyl-1,3-thiazol-2-amine
CID 139744682
1-ethyl-2-henicosylbenzene
CID 141174443
1,2-dipentylbenzene;1,2,3-tripentylbenzene
CID 161479121
1,2-didecylbenzene;phosphonous acid
CID 70526437
(2-octylphenyl)methanol
CID 19826681

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hexylphenyl)ethyl]-5-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[2-(2-hexylphenyl)ethyl]-5-methyl-1,3-thiazol-2-amine (CID 139744786) is N-[2-(2-hexylphenyl)ethyl]-5-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-(2-hexylphenyl)ethyl]-5-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-(2-hexylphenyl)ethyl]-5-methyl-1,3-thiazol-2-amine is CCCCCCc1ccccc1CCNc1ncc(C)s1.
What is the InChIKey of N-[2-(2-hexylphenyl)ethyl]-5-methyl-1,3-thiazol-2-amine?
The InChIKey is JTGUFUWVRZKWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2S/c1-3-4-5-6-9-16-10-7-8-11-17(16)12-13-19-18-20-14-15(2)21-18/h7-8,10-11,14H,3-6,9,12-13H2,1-2H3,(H,19,20).
What are the key properties of N-[2-(2-hexylphenyl)ethyl]-5-methyl-1,3-thiazol-2-amine?
N-[2-(2-hexylphenyl)ethyl]-5-methyl-1,3-thiazol-2-amine has a molecular weight of 302.49 g/mol, XLogP of 5.23, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hexylphenyl)ethyl]-5-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 139744786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).