2-(4-ethenyl-5-fluorocyclohexa-1,5-dien-1-yl)-5-propan-2-yl-1,3-thiazole

C14H16FNS — CID 129268017

IUPAC2-(4-ethenyl-5-fluorocyclohexa-1,5-dien-1-yl)-5-propan-2-yl-1,3-thiazole
SMILESC=CC1CC=C(c2ncc(C(C)C)s2)C=C1F
InChIInChI=1S/C14H16FNS/c1-4-10-5-6-11(7-12(10)15)14-16-8-13(17-14)9(2)3/h4,6-10H,1,5H2,2-3H3
InChIKeyVFLBVOJCLCSPFU-UHFFFAOYSA-N
MW249.35 g/mol
LogP4.71
Rot. Bonds3

About 2-(4-ethenyl-5-fluorocyclohexa-1,5-dien-1-yl)-5-propan-2-yl-1,3-thiazole

2-(4-ethenyl-5-fluorocyclohexa-1,5-dien-1-yl)-5-propan-2-yl-1,3-thiazole (PubChem CID 129268017) has the molecular formula C14H16FNS and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-(4-ethenyl-5-fluorocyclohexa-1,5-dien-1-yl)-5-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(4-ethenyl-5-fluorocyclohexa-1,5-dien-1-yl)-5-propan-2-yl-1,3-thiazole
PubChem CID129268017
Molecular FormulaC14H16FNS
Molecular Weight249.35 g/mol
Exact Mass249.10
IUPAC Name2-(4-ethenyl-5-fluorocyclohexa-1,5-dien-1-yl)-5-propan-2-yl-1,3-thiazole
SMILESC=CC1CC=C(c2ncc(C(C)C)s2)C=C1F
InChIInChI=1S/C14H16FNS/c1-4-10-5-6-11(7-12(10)15)14-16-8-13(17-14)9(2)3/h4,6-10H,1,5H2,2-3H3
InChIKeyVFLBVOJCLCSPFU-UHFFFAOYSA-N
XLogP4.71
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(4-ethenyl-5-fluorocyclohexa-1,5-dien-1-yl)-5-propan-2-yl-1,3-thiazole with MolForge

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Related Compounds

2-Methyl-5-[[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]-1,3-thiazole
CID 71011209
2-(4-Fluorocyclohexa-2,4-dien-1-yl)-5-methyl-1,3-thiazole
CID 123527995
Ethane;5-methyl-2-[5-methyl-5-(trifluoromethyl)cyclohepta-1,3,6-trien-1-yl]-1,3-thiazole
CID 142277216
5-[(2Z,4E)-4-fluorohexa-2,4-dienyl]-2-methyl-1,3-thiazole
CID 143331081
5-[(2Z,4E)-5-fluorohexa-2,4-dienyl]-2-methyl-1,3-thiazole
CID 143331089
2-[1-(1-Fluoroethenylsulfanyl)ethenyl]-5-propan-2-yl-1,3-thiazole
CID 144331927
5-But-3-en-2-yl-2-(trifluoromethyl)-1,3-thiazole
CID 144946172
5-But-3-en-2-yl-2-fluoro-1,3-thiazole
CID 144946180
[2-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-1,3-thiazol-5-yl]methanamine
CID 145277402
2-(2-Fluoropropan-2-yl)-5-propan-2-yl-1,3-thiazole
CID 156235712
[(4Z,6Z)-7-fluoro-2-methyl-6-(2-methyl-1,3-thiazol-5-yl)octa-2,4,6-trien-3-yl]-trimethylstannane
CID 167503536
2-(6,6-Difluorocyclohexen-1-yl)-5-methyl-1,3-thiazole
CID 59005883

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethenyl-5-fluorocyclohexa-1,5-dien-1-yl)-5-propan-2-yl-1,3-thiazole?
The IUPAC name of 2-(4-ethenyl-5-fluorocyclohexa-1,5-dien-1-yl)-5-propan-2-yl-1,3-thiazole (CID 129268017) is 2-(4-ethenyl-5-fluorocyclohexa-1,5-dien-1-yl)-5-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 2-(4-ethenyl-5-fluorocyclohexa-1,5-dien-1-yl)-5-propan-2-yl-1,3-thiazole?
The canonical SMILES for 2-(4-ethenyl-5-fluorocyclohexa-1,5-dien-1-yl)-5-propan-2-yl-1,3-thiazole is C=CC1CC=C(c2ncc(C(C)C)s2)C=C1F.
What is the InChIKey of 2-(4-ethenyl-5-fluorocyclohexa-1,5-dien-1-yl)-5-propan-2-yl-1,3-thiazole?
The InChIKey is VFLBVOJCLCSPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNS/c1-4-10-5-6-11(7-12(10)15)14-16-8-13(17-14)9(2)3/h4,6-10H,1,5H2,2-3H3.
What are the key properties of 2-(4-ethenyl-5-fluorocyclohexa-1,5-dien-1-yl)-5-propan-2-yl-1,3-thiazole?
2-(4-ethenyl-5-fluorocyclohexa-1,5-dien-1-yl)-5-propan-2-yl-1,3-thiazole has a molecular weight of 249.35 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethenyl-5-fluorocyclohexa-1,5-dien-1-yl)-5-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 129268017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).