2-(4-fluorocyclohexa-1,3-dien-1-yl)-4-pentyl-2,3-dihydro-1,3-thiazole

C14H20FNS — CID 142972441

IUPAC2-(4-fluorocyclohexa-1,3-dien-1-yl)-4-pentyl-2,3-dihydro-1,3-thiazole
SMILESCCCCCC1=CSC(C2=CC=C(F)CC2)N1
InChIInChI=1S/C14H20FNS/c1-2-3-4-5-13-10-17-14(16-13)11-6-8-12(15)9-7-11/h6,8,10,14,16H,2-5,7,9H2,1H3
InChIKeyIMHFULZEISIVFX-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.64
Rot. Bonds5

About 2-(4-fluorocyclohexa-1,3-dien-1-yl)-4-pentyl-2,3-dihydro-1,3-thiazole

2-(4-fluorocyclohexa-1,3-dien-1-yl)-4-pentyl-2,3-dihydro-1,3-thiazole (PubChem CID 142972441) has the molecular formula C14H20FNS and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-(4-fluorocyclohexa-1,3-dien-1-yl)-4-pentyl-2,3-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-(4-fluorocyclohexa-1,3-dien-1-yl)-4-pentyl-2,3-dihydro-1,3-thiazole
PubChem CID142972441
Molecular FormulaC14H20FNS
Molecular Weight253.39 g/mol
Exact Mass253.13
IUPAC Name2-(4-fluorocyclohexa-1,3-dien-1-yl)-4-pentyl-2,3-dihydro-1,3-thiazole
SMILESCCCCCC1=CSC(C2=CC=C(F)CC2)N1
InChIInChI=1S/C14H20FNS/c1-2-3-4-5-13-10-17-14(16-13)11-6-8-12(15)9-7-11/h6,8,10,14,16H,2-5,7,9H2,1H3
InChIKeyIMHFULZEISIVFX-UHFFFAOYSA-N
XLogP4.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(4-fluorocyclohexa-1,3-dien-1-yl)-4-pentyl-2,3-dihydro-1,3-thiazole?
The IUPAC name of 2-(4-fluorocyclohexa-1,3-dien-1-yl)-4-pentyl-2,3-dihydro-1,3-thiazole (CID 142972441) is 2-(4-fluorocyclohexa-1,3-dien-1-yl)-4-pentyl-2,3-dihydro-1,3-thiazole.
What is the SMILES notation for 2-(4-fluorocyclohexa-1,3-dien-1-yl)-4-pentyl-2,3-dihydro-1,3-thiazole?
The canonical SMILES for 2-(4-fluorocyclohexa-1,3-dien-1-yl)-4-pentyl-2,3-dihydro-1,3-thiazole is CCCCCC1=CSC(C2=CC=C(F)CC2)N1.
What is the InChIKey of 2-(4-fluorocyclohexa-1,3-dien-1-yl)-4-pentyl-2,3-dihydro-1,3-thiazole?
The InChIKey is IMHFULZEISIVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNS/c1-2-3-4-5-13-10-17-14(16-13)11-6-8-12(15)9-7-11/h6,8,10,14,16H,2-5,7,9H2,1H3.
What are the key properties of 2-(4-fluorocyclohexa-1,3-dien-1-yl)-4-pentyl-2,3-dihydro-1,3-thiazole?
2-(4-fluorocyclohexa-1,3-dien-1-yl)-4-pentyl-2,3-dihydro-1,3-thiazole has a molecular weight of 253.39 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorocyclohexa-1,3-dien-1-yl)-4-pentyl-2,3-dihydro-1,3-thiazole is sourced from PubChem (CID 142972441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).