4-[4-(2,3-dihydro-1,4-dioxin-5-yl)phenyl]-2-methyl-1,3-thiazole

C14H13NO2S — CID 166386186

IUPAC4-[4-(2,3-dihydro-1,4-dioxin-5-yl)phenyl]-2-methyl-1,3-thiazole
SMILESCc1nc(-c2ccc(C3=COCCO3)cc2)cs1
InChIInChI=1S/C14H13NO2S/c1-10-15-13(9-18-10)11-2-4-12(5-3-11)14-8-16-6-7-17-14/h2-5,8-9H,6-7H2,1H3
InChIKeyKMZBCGWFFSUPIT-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.46
Rot. Bonds2

About 4-[4-(2,3-dihydro-1,4-dioxin-5-yl)phenyl]-2-methyl-1,3-thiazole

4-[4-(2,3-dihydro-1,4-dioxin-5-yl)phenyl]-2-methyl-1,3-thiazole (PubChem CID 166386186) has the molecular formula C14H13NO2S and a molecular weight of 259.33 g/mol. Its IUPAC name is 4-[4-(2,3-dihydro-1,4-dioxin-5-yl)phenyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[4-(2,3-dihydro-1,4-dioxin-5-yl)phenyl]-2-methyl-1,3-thiazole
PubChem CID166386186
Molecular FormulaC14H13NO2S
Molecular Weight259.33 g/mol
Exact Mass259.07
IUPAC Name4-[4-(2,3-dihydro-1,4-dioxin-5-yl)phenyl]-2-methyl-1,3-thiazole
SMILESCc1nc(-c2ccc(C3=COCCO3)cc2)cs1
InChIInChI=1S/C14H13NO2S/c1-10-15-13(9-18-10)11-2-4-12(5-3-11)14-8-16-6-7-17-14/h2-5,8-9H,6-7H2,1H3
InChIKeyKMZBCGWFFSUPIT-UHFFFAOYSA-N
XLogP3.46
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-ethylphenyl)-2-methyl-1,3-thiazole
CID 19240269
2-methyl-4-(4-methylsulfanylphenyl)-1,3-thiazole
CID 116967862
4-(furan-3-yl)-2-methyl-1,3-thiazole
CID 130511762
4-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylaniline
CID 28682074
2-methyl-4-[4-(2-phenylethyl)phenyl]-1,3-thiazole
CID 174868608
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 8533850
N-cyclopentyl-4-(2-methyl-1,3-thiazol-4-yl)aniline
CID 28541004
N-methyl-4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 134350753
N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 55575275
4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonic acid
CID 118293667
4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 43173625
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]bicyclo[2.2.1]heptan-2-amine
CID 63421415

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,3-dihydro-1,4-dioxin-5-yl)phenyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[4-(2,3-dihydro-1,4-dioxin-5-yl)phenyl]-2-methyl-1,3-thiazole (CID 166386186) is 4-[4-(2,3-dihydro-1,4-dioxin-5-yl)phenyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[4-(2,3-dihydro-1,4-dioxin-5-yl)phenyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[4-(2,3-dihydro-1,4-dioxin-5-yl)phenyl]-2-methyl-1,3-thiazole is Cc1nc(-c2ccc(C3=COCCO3)cc2)cs1.
What is the InChIKey of 4-[4-(2,3-dihydro-1,4-dioxin-5-yl)phenyl]-2-methyl-1,3-thiazole?
The InChIKey is KMZBCGWFFSUPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2S/c1-10-15-13(9-18-10)11-2-4-12(5-3-11)14-8-16-6-7-17-14/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 4-[4-(2,3-dihydro-1,4-dioxin-5-yl)phenyl]-2-methyl-1,3-thiazole?
4-[4-(2,3-dihydro-1,4-dioxin-5-yl)phenyl]-2-methyl-1,3-thiazole has a molecular weight of 259.33 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,3-dihydro-1,4-dioxin-5-yl)phenyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 166386186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).