5-pentyl-4-phenyl-1,3-thiazol-2-amine

C14H18N2S — CID 3356434

IUPAC5-pentyl-4-phenyl-1,3-thiazol-2-amine
SMILESCCCCCc1sc(N)nc1-c1ccccc1
InChIInChI=1S/C14H18N2S/c1-2-3-5-10-12-13(16-14(15)17-12)11-8-6-4-7-9-11/h4,6-9H,2-3,5,10H2,1H3,(H2,15,16)
InChIKeyJLEPGFXBHGPAFV-UHFFFAOYSA-N
MW246.38 g/mol
LogP4.12
Rot. Bonds5

About 5-pentyl-4-phenyl-1,3-thiazol-2-amine

5-pentyl-4-phenyl-1,3-thiazol-2-amine (PubChem CID 3356434) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 5-pentyl-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-pentyl-4-phenyl-1,3-thiazol-2-amine
PubChem CID3356434
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name5-pentyl-4-phenyl-1,3-thiazol-2-amine
SMILESCCCCCc1sc(N)nc1-c1ccccc1
InChIInChI=1S/C14H18N2S/c1-2-3-5-10-12-13(16-14(15)17-12)11-8-6-4-7-9-11/h4,6-9H,2-3,5,10H2,1H3,(H2,15,16)
InChIKeyJLEPGFXBHGPAFV-UHFFFAOYSA-N
XLogP4.12
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 54.12
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-pentyl-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of 5-pentyl-4-phenyl-1,3-thiazol-2-amine (CID 3356434) is 5-pentyl-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-pentyl-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-pentyl-4-phenyl-1,3-thiazol-2-amine is CCCCCc1sc(N)nc1-c1ccccc1.
What is the InChIKey of 5-pentyl-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is JLEPGFXBHGPAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-2-3-5-10-12-13(16-14(15)17-12)11-8-6-4-7-9-11/h4,6-9H,2-3,5,10H2,1H3,(H2,15,16).
What are the key properties of 5-pentyl-4-phenyl-1,3-thiazol-2-amine?
5-pentyl-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 246.38 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentyl-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 3356434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).