2-[4-(1-fluoroprop-2-enyl)phenyl]-1,3-thiazole

C12H10FNS — CID 91119367

IUPAC2-[4-(1-fluoroprop-2-enyl)phenyl]-1,3-thiazole
SMILESC=CC(F)c1ccc(-c2nccs2)cc1
InChIInChI=1S/C12H10FNS/c1-2-11(13)9-3-5-10(6-4-9)12-14-7-8-15-12/h2-8,11H,1H2
InChIKeyHGZOLRVSNMAKPW-UHFFFAOYSA-N
MW219.28 g/mol
LogP4.01
Rot. Bonds3

About 2-[4-(1-fluoroprop-2-enyl)phenyl]-1,3-thiazole

2-[4-(1-fluoroprop-2-enyl)phenyl]-1,3-thiazole (PubChem CID 91119367) has the molecular formula C12H10FNS and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-[4-(1-fluoroprop-2-enyl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(1-fluoroprop-2-enyl)phenyl]-1,3-thiazole
PubChem CID91119367
Molecular FormulaC12H10FNS
Molecular Weight219.28 g/mol
Exact Mass219.05
IUPAC Name2-[4-(1-fluoroprop-2-enyl)phenyl]-1,3-thiazole
SMILESC=CC(F)c1ccc(-c2nccs2)cc1
InChIInChI=1S/C12H10FNS/c1-2-11(13)9-3-5-10(6-4-9)12-14-7-8-15-12/h2-8,11H,1H2
InChIKeyHGZOLRVSNMAKPW-UHFFFAOYSA-N
XLogP4.01
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole
CID 901538
2-(4-prop-2-enylphenyl)-1,3-thiazole
CID 91383546
azane;4-(1,3-thiazol-2-yl)phenol
CID 175575077
2-[4-(1,3-thiazol-2-yl)phenyl]butanoic acid
CID 174694618
bis[4-(1,3-thiazol-2-yl)phenyl]methanone
CID 146425122
2-(3-prop-2-enylphenyl)-1,3-thiazole
CID 141281428
3-[4-(1-fluoroprop-2-enyl)phenyl]-1,2-oxazole
CID 91268524
(E)-4,4-difluoro-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]but-2-enamide
CID 167809687
2-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,3-thiazole
CID 151399077
ethane;1-iodo-4-methylbenzene;bis(2-(4-methylphenyl)-1,3-thiazole)
CID 143420197
N-methyl-1-[4-(1,3-thiazol-2-yl)phenyl]methanamine
CID 18525747
2-(4-methylsulfinylphenyl)-1,3-thiazole
CID 123855062

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-fluoroprop-2-enyl)phenyl]-1,3-thiazole?
The IUPAC name of 2-[4-(1-fluoroprop-2-enyl)phenyl]-1,3-thiazole (CID 91119367) is 2-[4-(1-fluoroprop-2-enyl)phenyl]-1,3-thiazole.
What is the SMILES notation for 2-[4-(1-fluoroprop-2-enyl)phenyl]-1,3-thiazole?
The canonical SMILES for 2-[4-(1-fluoroprop-2-enyl)phenyl]-1,3-thiazole is C=CC(F)c1ccc(-c2nccs2)cc1.
What is the InChIKey of 2-[4-(1-fluoroprop-2-enyl)phenyl]-1,3-thiazole?
The InChIKey is HGZOLRVSNMAKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNS/c1-2-11(13)9-3-5-10(6-4-9)12-14-7-8-15-12/h2-8,11H,1H2.
What are the key properties of 2-[4-(1-fluoroprop-2-enyl)phenyl]-1,3-thiazole?
2-[4-(1-fluoroprop-2-enyl)phenyl]-1,3-thiazole has a molecular weight of 219.28 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-fluoroprop-2-enyl)phenyl]-1,3-thiazole is sourced from PubChem (CID 91119367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).