N,N-dihexyl-1,3-thiazol-2-amine

C15H28N2S — CID 19863217

IUPACN,N-dihexyl-1,3-thiazol-2-amine
SMILESCCCCCCN(CCCCCC)c1nccs1
InChIInChI=1S/C15H28N2S/c1-3-5-7-9-12-17(13-10-8-6-4-2)15-16-11-14-18-15/h11,14H,3-10,12-13H2,1-2H3
InChIKeyBGCRETINKCLLTG-UHFFFAOYSA-N
MW268.47 g/mol
LogP5.11
Rot. Bonds11

About N,N-dihexyl-1,3-thiazol-2-amine

N,N-dihexyl-1,3-thiazol-2-amine (PubChem CID 19863217) has the molecular formula C15H28N2S and a molecular weight of 268.47 g/mol. Its IUPAC name is N,N-dihexyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,N-dihexyl-1,3-thiazol-2-amine
PubChem CID19863217
Molecular FormulaC15H28N2S
Molecular Weight268.47 g/mol
Exact Mass268.20
IUPAC NameN,N-dihexyl-1,3-thiazol-2-amine
SMILESCCCCCCN(CCCCCC)c1nccs1
InChIInChI=1S/C15H28N2S/c1-3-5-7-9-12-17(13-10-8-6-4-2)15-16-11-14-18-15/h11,14H,3-10,12-13H2,1-2H3
InChIKeyBGCRETINKCLLTG-UHFFFAOYSA-N
XLogP5.11
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.47
LogP ≤ 55.11
H-Bond Donors ≤ 50
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 N,N-dihexyl-1,3-thiazol-2-amine?
The IUPAC name of N,N-dihexyl-1,3-thiazol-2-amine (CID 19863217) is N,N-dihexyl-1,3-thiazol-2-amine.
What is the SMILES notation for N,N-dihexyl-1,3-thiazol-2-amine?
The canonical SMILES for N,N-dihexyl-1,3-thiazol-2-amine is CCCCCCN(CCCCCC)c1nccs1.
What is the InChIKey of N,N-dihexyl-1,3-thiazol-2-amine?
The InChIKey is BGCRETINKCLLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2S/c1-3-5-7-9-12-17(13-10-8-6-4-2)15-16-11-14-18-15/h11,14H,3-10,12-13H2,1-2H3.
What are the key properties of N,N-dihexyl-1,3-thiazol-2-amine?
N,N-dihexyl-1,3-thiazol-2-amine has a molecular weight of 268.47 g/mol, XLogP of 5.11, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dihexyl-1,3-thiazol-2-amine is sourced from PubChem (CID 19863217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).