2-[1-(2-fluorophenyl)cyclopropyl]-4-(2-methylsulfonylethyl)-1,3-thiazole

C15H16FNO2S2 — CID 167907231

IUPAC2-[1-(2-fluorophenyl)cyclopropyl]-4-(2-methylsulfonylethyl)-1,3-thiazole
SMILESCS(=O)(=O)CCc1csc(C2(c3ccccc3F)CC2)n1
InChIInChI=1S/C15H16FNO2S2/c1-21(18,19)9-6-11-10-20-14(17-11)15(7-8-15)12-4-2-3-5-13(12)16/h2-5,10H,6-9H2,1H3
InChIKeyCPPRSJZTSGJJBU-UHFFFAOYSA-N
MW325.43 g/mol
LogP2.95
Rot. Bonds5

About 2-[1-(2-fluorophenyl)cyclopropyl]-4-(2-methylsulfonylethyl)-1,3-thiazole

2-[1-(2-fluorophenyl)cyclopropyl]-4-(2-methylsulfonylethyl)-1,3-thiazole (PubChem CID 167907231) has the molecular formula C15H16FNO2S2 and a molecular weight of 325.43 g/mol. Its IUPAC name is 2-[1-(2-fluorophenyl)cyclopropyl]-4-(2-methylsulfonylethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[1-(2-fluorophenyl)cyclopropyl]-4-(2-methylsulfonylethyl)-1,3-thiazole
PubChem CID167907231
Molecular FormulaC15H16FNO2S2
Molecular Weight325.43 g/mol
Exact Mass325.06
IUPAC Name2-[1-(2-fluorophenyl)cyclopropyl]-4-(2-methylsulfonylethyl)-1,3-thiazole
SMILESCS(=O)(=O)CCc1csc(C2(c3ccccc3F)CC2)n1
InChIInChI=1S/C15H16FNO2S2/c1-21(18,19)9-6-11-10-20-14(17-11)15(7-8-15)12-4-2-3-5-13(12)16/h2-5,10H,6-9H2,1H3
InChIKeyCPPRSJZTSGJJBU-UHFFFAOYSA-N
XLogP2.95
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(chloromethyl)-2-(1-phenylcyclopropyl)-1,3-thiazole
CID 63080199
1-(2-fluorophenyl)-N-(2-methylsulfonylethyl)cyclopropane-1-carboxamide
CID 110612491
ethyl 2-[2-(1-phenylcyclopropyl)-1,3-thiazol-4-yl]acetate
CID 80573999
1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[[1-(2-fluorophenyl)cyclopropyl]methyl]urea
CID 71981655
methyl 3-[2-(2-fluoro-6-methylsulfanylphenyl)-1,3-thiazol-4-yl]propanoate
CID 107039730
2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-[1-(2-fluorophenyl)cyclopropyl]acetamide
CID 110450787
N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-5-methylthiophene-2-sulfonamide
CID 110317199
(5R)-5-(2-fluorophenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione
CID 95589593
1-fluoro-2-[1-(2-fluorophenyl)cyclohexyl]benzene
CID 22420549
1-[4-ethyl-1-(2-fluorophenyl)cyclohexyl]-2-fluorobenzene
CID 22420584
3-[2-(2-fluoro-6-methylsulfanylphenyl)-1,3-thiazol-4-yl]propanoic acid
CID 103485544
N-[2-[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide
CID 110317259

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluorophenyl)cyclopropyl]-4-(2-methylsulfonylethyl)-1,3-thiazole?
The IUPAC name of 2-[1-(2-fluorophenyl)cyclopropyl]-4-(2-methylsulfonylethyl)-1,3-thiazole (CID 167907231) is 2-[1-(2-fluorophenyl)cyclopropyl]-4-(2-methylsulfonylethyl)-1,3-thiazole.
What is the SMILES notation for 2-[1-(2-fluorophenyl)cyclopropyl]-4-(2-methylsulfonylethyl)-1,3-thiazole?
The canonical SMILES for 2-[1-(2-fluorophenyl)cyclopropyl]-4-(2-methylsulfonylethyl)-1,3-thiazole is CS(=O)(=O)CCc1csc(C2(c3ccccc3F)CC2)n1.
What is the InChIKey of 2-[1-(2-fluorophenyl)cyclopropyl]-4-(2-methylsulfonylethyl)-1,3-thiazole?
The InChIKey is CPPRSJZTSGJJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2S2/c1-21(18,19)9-6-11-10-20-14(17-11)15(7-8-15)12-4-2-3-5-13(12)16/h2-5,10H,6-9H2,1H3.
What are the key properties of 2-[1-(2-fluorophenyl)cyclopropyl]-4-(2-methylsulfonylethyl)-1,3-thiazole?
2-[1-(2-fluorophenyl)cyclopropyl]-4-(2-methylsulfonylethyl)-1,3-thiazole has a molecular weight of 325.43 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluorophenyl)cyclopropyl]-4-(2-methylsulfonylethyl)-1,3-thiazole is sourced from PubChem (CID 167907231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).