3-(3-fluorophenyl)-5-methyl-4-(4-methyl-1,3-dioxetan-2-yl)-1,2-thiazole

C13H12FNO2S — CID 70319449

IUPAC3-(3-fluorophenyl)-5-methyl-4-(4-methyl-1,3-dioxetan-2-yl)-1,2-thiazole
SMILESCc1snc(-c2cccc(F)c2)c1C1OC(C)O1
InChIInChI=1S/C13H12FNO2S/c1-7-11(13-16-8(2)17-13)12(15-18-7)9-4-3-5-10(14)6-9/h3-6,8,13H,1-2H3
InChIKeyYEAVQWIBPWCDMK-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.65
Rot. Bonds2

About 3-(3-fluorophenyl)-5-methyl-4-(4-methyl-1,3-dioxetan-2-yl)-1,2-thiazole

3-(3-fluorophenyl)-5-methyl-4-(4-methyl-1,3-dioxetan-2-yl)-1,2-thiazole (PubChem CID 70319449) has the molecular formula C13H12FNO2S and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-5-methyl-4-(4-methyl-1,3-dioxetan-2-yl)-1,2-thiazole.

Molecular Properties

Compound Name3-(3-fluorophenyl)-5-methyl-4-(4-methyl-1,3-dioxetan-2-yl)-1,2-thiazole
PubChem CID70319449
Molecular FormulaC13H12FNO2S
Molecular Weight265.31 g/mol
Exact Mass265.06
IUPAC Name3-(3-fluorophenyl)-5-methyl-4-(4-methyl-1,3-dioxetan-2-yl)-1,2-thiazole
SMILESCc1snc(-c2cccc(F)c2)c1C1OC(C)O1
InChIInChI=1S/C13H12FNO2S/c1-7-11(13-16-8(2)17-13)12(15-18-7)9-4-3-5-10(14)6-9/h3-6,8,13H,1-2H3
InChIKeyYEAVQWIBPWCDMK-UHFFFAOYSA-N
XLogP3.65
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(3-fluorophenyl)-5-methyl-4-(4-methyl-1,3-dioxetan-2-yl)-1,2-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-3-(3-fluorophenyl)-1,2-thiazol-5-amine
CID 83911404
4-bromo-3-(3-fluorophenyl)-1,2-thiazol-5-amine
CID 83913752
4-(3-chlorophenyl)-6-methyl-5-(4-methyl-1,3-dioxetan-2-yl)-2-methylsulfanylpyrimidine
CID 71137376
2-(3-fluorophenyl)-5-methyl-1,3-thiazol-4-amine
CID 83107881
3-fluoro-2-(3-fluorophenyl)-6-methylpyridine
CID 46312581
2-cyclopropyl-4-(3-fluorophenyl)-5-methyl-1H-pyrimidin-6-one
CID 136692169
2,3-bis(3-fluorophenyl)quinoxaline
CID 5127743
2-fluoro-1-(3-fluorophenyl)-3-methylbenzene
CID 46313946
5-(3-fluorophenyl)-2-iodo-4-methyl-1,3-oxazole
CID 102974766
2-chloro-4,5-bis(3-fluorophenyl)-1,3-thiazole
CID 21409148
4-(3-fluorophenyl)-2-methyl-2H-furan-5-one
CID 506543
4-(3-fluorophenyl)imidazol-2-one
CID 130136379

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-5-methyl-4-(4-methyl-1,3-dioxetan-2-yl)-1,2-thiazole?
The IUPAC name of 3-(3-fluorophenyl)-5-methyl-4-(4-methyl-1,3-dioxetan-2-yl)-1,2-thiazole (CID 70319449) is 3-(3-fluorophenyl)-5-methyl-4-(4-methyl-1,3-dioxetan-2-yl)-1,2-thiazole.
What is the SMILES notation for 3-(3-fluorophenyl)-5-methyl-4-(4-methyl-1,3-dioxetan-2-yl)-1,2-thiazole?
The canonical SMILES for 3-(3-fluorophenyl)-5-methyl-4-(4-methyl-1,3-dioxetan-2-yl)-1,2-thiazole is Cc1snc(-c2cccc(F)c2)c1C1OC(C)O1.
What is the InChIKey of 3-(3-fluorophenyl)-5-methyl-4-(4-methyl-1,3-dioxetan-2-yl)-1,2-thiazole?
The InChIKey is YEAVQWIBPWCDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO2S/c1-7-11(13-16-8(2)17-13)12(15-18-7)9-4-3-5-10(14)6-9/h3-6,8,13H,1-2H3.
What are the key properties of 3-(3-fluorophenyl)-5-methyl-4-(4-methyl-1,3-dioxetan-2-yl)-1,2-thiazole?
3-(3-fluorophenyl)-5-methyl-4-(4-methyl-1,3-dioxetan-2-yl)-1,2-thiazole has a molecular weight of 265.31 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-5-methyl-4-(4-methyl-1,3-dioxetan-2-yl)-1,2-thiazole is sourced from PubChem (CID 70319449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).