2-methyl-N-nonyl-1,3-thiazol-4-amine

C13H24N2S — CID 152613568

IUPAC2-methyl-N-nonyl-1,3-thiazol-4-amine
SMILESCCCCCCCCCNc1csc(C)n1
InChIInChI=1S/C13H24N2S/c1-3-4-5-6-7-8-9-10-14-13-11-16-12(2)15-13/h11,14H,3-10H2,1-2H3
InChIKeyZAAORMHODHTDFJ-UHFFFAOYSA-N
MW240.42 g/mol
LogP4.61
Rot. Bonds9

About 2-methyl-N-nonyl-1,3-thiazol-4-amine

2-methyl-N-nonyl-1,3-thiazol-4-amine (PubChem CID 152613568) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is 2-methyl-N-nonyl-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-methyl-N-nonyl-1,3-thiazol-4-amine
PubChem CID152613568
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC Name2-methyl-N-nonyl-1,3-thiazol-4-amine
SMILESCCCCCCCCCNc1csc(C)n1
InChIInChI=1S/C13H24N2S/c1-3-4-5-6-7-8-9-10-14-13-11-16-12(2)15-13/h11,14H,3-10H2,1-2H3
InChIKeyZAAORMHODHTDFJ-UHFFFAOYSA-N
XLogP4.61
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 54.61
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-nonyl-1,3-thiazol-4-amine?
The IUPAC name of 2-methyl-N-nonyl-1,3-thiazol-4-amine (CID 152613568) is 2-methyl-N-nonyl-1,3-thiazol-4-amine.
What is the SMILES notation for 2-methyl-N-nonyl-1,3-thiazol-4-amine?
The canonical SMILES for 2-methyl-N-nonyl-1,3-thiazol-4-amine is CCCCCCCCCNc1csc(C)n1.
What is the InChIKey of 2-methyl-N-nonyl-1,3-thiazol-4-amine?
The InChIKey is ZAAORMHODHTDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-3-4-5-6-7-8-9-10-14-13-11-16-12(2)15-13/h11,14H,3-10H2,1-2H3.
What are the key properties of 2-methyl-N-nonyl-1,3-thiazol-4-amine?
2-methyl-N-nonyl-1,3-thiazol-4-amine has a molecular weight of 240.42 g/mol, XLogP of 4.61, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-nonyl-1,3-thiazol-4-amine is sourced from PubChem (CID 152613568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).