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

C9H16N2S — CID 3565002

IUPAC5-hexyl-1,3-thiazol-2-amine
SMILESCCCCCCc1cnc(N)s1
InChIInChI=1S/C9H16N2S/c1-2-3-4-5-6-8-7-11-9(10)12-8/h7H,2-6H2,1H3,(H2,10,11)
InChIKeyZDEVQPCYUARWNW-UHFFFAOYSA-N
MW184.31 g/mol
LogP2.85
Rot. Bonds5

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

5-hexyl-1,3-thiazol-2-amine (PubChem CID 3565002) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is 5-hexyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-hexyl-1,3-thiazol-2-amine
PubChem CID3565002
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC Name5-hexyl-1,3-thiazol-2-amine
SMILESCCCCCCc1cnc(N)s1
InChIInChI=1S/C9H16N2S/c1-2-3-4-5-6-8-7-11-9(10)12-8/h7H,2-6H2,1H3,(H2,10,11)
InChIKeyZDEVQPCYUARWNW-UHFFFAOYSA-N
XLogP2.85
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 52.85
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-hexyl-1,3-thiazol-2-amine?
The IUPAC name of 5-hexyl-1,3-thiazol-2-amine (CID 3565002) is 5-hexyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-hexyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-hexyl-1,3-thiazol-2-amine is CCCCCCc1cnc(N)s1.
What is the InChIKey of 5-hexyl-1,3-thiazol-2-amine?
The InChIKey is ZDEVQPCYUARWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S/c1-2-3-4-5-6-8-7-11-9(10)12-8/h7H,2-6H2,1H3,(H2,10,11).
What are the key properties of 5-hexyl-1,3-thiazol-2-amine?
5-hexyl-1,3-thiazol-2-amine has a molecular weight of 184.31 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexyl-1,3-thiazol-2-amine is sourced from PubChem (CID 3565002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).