5-octyl-1,3-thiazol-2-amine

C11H20N2S — CID 3600903

IUPAC5-octyl-1,3-thiazol-2-amine
SMILESCCCCCCCCc1cnc(N)s1
InChIInChI=1S/C11H20N2S/c1-2-3-4-5-6-7-8-10-9-13-11(12)14-10/h9H,2-8H2,1H3,(H2,12,13)
InChIKeyYKFCKIPZDUOGCD-UHFFFAOYSA-N
MW212.36 g/mol
LogP3.63
Rot. Bonds7

About 5-octyl-1,3-thiazol-2-amine

5-octyl-1,3-thiazol-2-amine (PubChem CID 3600903) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 5-octyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-octyl-1,3-thiazol-2-amine
PubChem CID3600903
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name5-octyl-1,3-thiazol-2-amine
SMILESCCCCCCCCc1cnc(N)s1
InChIInChI=1S/C11H20N2S/c1-2-3-4-5-6-7-8-10-9-13-11(12)14-10/h9H,2-8H2,1H3,(H2,12,13)
InChIKeyYKFCKIPZDUOGCD-UHFFFAOYSA-N
XLogP3.63
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 53.63
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 5-octyl-1,3-thiazol-2-amine?
The IUPAC name of 5-octyl-1,3-thiazol-2-amine (CID 3600903) is 5-octyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-octyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-octyl-1,3-thiazol-2-amine is CCCCCCCCc1cnc(N)s1.
What is the InChIKey of 5-octyl-1,3-thiazol-2-amine?
The InChIKey is YKFCKIPZDUOGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-2-3-4-5-6-7-8-10-9-13-11(12)14-10/h9H,2-8H2,1H3,(H2,12,13).
What are the key properties of 5-octyl-1,3-thiazol-2-amine?
5-octyl-1,3-thiazol-2-amine has a molecular weight of 212.36 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-octyl-1,3-thiazol-2-amine is sourced from PubChem (CID 3600903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).