1-fluoro-2,4-dimethyl-1-phenyl-5-[(Z)-prop-1-enyl]-1,3-thiazole

C14H16FNS — CID 146359411

IUPAC1-fluoro-2,4-dimethyl-1-phenyl-5-[(Z)-prop-1-enyl]-1,3-thiazole
SMILESC/C=C\C1=C(C)N=C(C)S1(F)c1ccccc1
InChIInChI=1S/C14H16FNS/c1-4-8-14-11(2)16-12(3)17(14,15)13-9-6-5-7-10-13/h4-10H,1-3H3/b8-4-
InChIKeyKNJOFMPLVSCQAU-YWEYNIOJSA-N
MW249.35 g/mol
LogP4.97
Rot. Bonds2

About 1-fluoro-2,4-dimethyl-1-phenyl-5-[(Z)-prop-1-enyl]-1,3-thiazole

1-fluoro-2,4-dimethyl-1-phenyl-5-[(Z)-prop-1-enyl]-1,3-thiazole (PubChem CID 146359411) has the molecular formula C14H16FNS and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-fluoro-2,4-dimethyl-1-phenyl-5-[(Z)-prop-1-enyl]-1,3-thiazole.

Molecular Properties

Compound Name1-fluoro-2,4-dimethyl-1-phenyl-5-[(Z)-prop-1-enyl]-1,3-thiazole
PubChem CID146359411
Molecular FormulaC14H16FNS
Molecular Weight249.35 g/mol
Exact Mass249.10
IUPAC Name1-fluoro-2,4-dimethyl-1-phenyl-5-[(Z)-prop-1-enyl]-1,3-thiazole
SMILESC/C=C\C1=C(C)N=C(C)S1(F)c1ccccc1
InChIInChI=1S/C14H16FNS/c1-4-8-14-11(2)16-12(3)17(14,15)13-9-6-5-7-10-13/h4-10H,1-3H3/b8-4-
InChIKeyKNJOFMPLVSCQAU-YWEYNIOJSA-N
XLogP4.97
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2,4-dimethyl-1-phenyl-5-[(Z)-prop-1-enyl]-1,3-thiazole?
The IUPAC name of 1-fluoro-2,4-dimethyl-1-phenyl-5-[(Z)-prop-1-enyl]-1,3-thiazole (CID 146359411) is 1-fluoro-2,4-dimethyl-1-phenyl-5-[(Z)-prop-1-enyl]-1,3-thiazole.
What is the SMILES notation for 1-fluoro-2,4-dimethyl-1-phenyl-5-[(Z)-prop-1-enyl]-1,3-thiazole?
The canonical SMILES for 1-fluoro-2,4-dimethyl-1-phenyl-5-[(Z)-prop-1-enyl]-1,3-thiazole is C/C=C\C1=C(C)N=C(C)S1(F)c1ccccc1.
What is the InChIKey of 1-fluoro-2,4-dimethyl-1-phenyl-5-[(Z)-prop-1-enyl]-1,3-thiazole?
The InChIKey is KNJOFMPLVSCQAU-YWEYNIOJSA-N. The full InChI is InChI=1S/C14H16FNS/c1-4-8-14-11(2)16-12(3)17(14,15)13-9-6-5-7-10-13/h4-10H,1-3H3/b8-4-.
What are the key properties of 1-fluoro-2,4-dimethyl-1-phenyl-5-[(Z)-prop-1-enyl]-1,3-thiazole?
1-fluoro-2,4-dimethyl-1-phenyl-5-[(Z)-prop-1-enyl]-1,3-thiazole has a molecular weight of 249.35 g/mol, XLogP of 4.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2,4-dimethyl-1-phenyl-5-[(Z)-prop-1-enyl]-1,3-thiazole is sourced from PubChem (CID 146359411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).