2-(4-fluorophenyl)-4-propyl-1,3-thiazole

C12H12FNS — CID 115641443

IUPAC2-(4-fluorophenyl)-4-propyl-1,3-thiazole
SMILESCCCc1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C12H12FNS/c1-2-3-11-8-15-12(14-11)9-4-6-10(13)7-5-9/h4-8H,2-3H2,1H3
InChIKeyYBFQHJJQTCQCSW-UHFFFAOYSA-N
MW221.30 g/mol
LogP3.90
Rot. Bonds3

About 2-(4-fluorophenyl)-4-propyl-1,3-thiazole

2-(4-fluorophenyl)-4-propyl-1,3-thiazole (PubChem CID 115641443) has the molecular formula C12H12FNS and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-propyl-1,3-thiazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-propyl-1,3-thiazole
PubChem CID115641443
Molecular FormulaC12H12FNS
Molecular Weight221.30 g/mol
Exact Mass221.07
IUPAC Name2-(4-fluorophenyl)-4-propyl-1,3-thiazole
SMILESCCCc1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C12H12FNS/c1-2-3-11-8-15-12(14-11)9-4-6-10(13)7-5-9/h4-8H,2-3H2,1H3
InChIKeyYBFQHJJQTCQCSW-UHFFFAOYSA-N
XLogP3.90
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylphenyl)-4-propyl-1,3-thiazole
CID 115641441
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]butane-1-sulfonamide
CID 110317219
1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one
CID 115089550
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]propane-2-sulfonamide
CID 7518666
3-[2-(4-propylphenyl)-1,3-thiazol-4-yl]propanenitrile
CID 116890055
2-(3,4-dimethoxyphenyl)-4-propyl-1,3-thiazole
CID 112692422
4-butyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 141123760
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-3-methylpentan-2-amine
CID 61463562
1-bromo-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]methanesulfonamide
CID 7518657
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-4-methylcyclohexan-1-amine
CID 43407865
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-2,2-dimethylbutan-1-amine
CID 103460462
[3-(4-propyl-1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride
CID 120558535

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-propyl-1,3-thiazole?
The IUPAC name of 2-(4-fluorophenyl)-4-propyl-1,3-thiazole (CID 115641443) is 2-(4-fluorophenyl)-4-propyl-1,3-thiazole.
What is the SMILES notation for 2-(4-fluorophenyl)-4-propyl-1,3-thiazole?
The canonical SMILES for 2-(4-fluorophenyl)-4-propyl-1,3-thiazole is CCCc1csc(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-(4-fluorophenyl)-4-propyl-1,3-thiazole?
The InChIKey is YBFQHJJQTCQCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNS/c1-2-3-11-8-15-12(14-11)9-4-6-10(13)7-5-9/h4-8H,2-3H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-4-propyl-1,3-thiazole?
2-(4-fluorophenyl)-4-propyl-1,3-thiazole has a molecular weight of 221.30 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-propyl-1,3-thiazole is sourced from PubChem (CID 115641443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).