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

C14H15FN2O3S — CID 20934699

IUPAC5-(4-fluorophenyl)-4-methyl-3-morpholin-4-yl-1,2-thiazole 1,1-dioxide
SMILESCC1=C(c2ccc(F)cc2)S(=O)(=O)N=C1N1CCOCC1
InChIInChI=1S/C14H15FN2O3S/c1-10-13(11-2-4-12(15)5-3-11)21(18,19)16-14(10)17-6-8-20-9-7-17/h2-5H,6-9H2,1H3
InChIKeyDFWMURKXJZVAMG-UHFFFAOYSA-N
MW310.35 g/mol
LogP1.63
Rot. Bonds1

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

5-(4-fluorophenyl)-4-methyl-3-morpholin-4-yl-1,2-thiazole 1,1-dioxide (PubChem CID 20934699) has the molecular formula C14H15FN2O3S and a molecular weight of 310.35 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-methyl-3-morpholin-4-yl-1,2-thiazole 1,1-dioxide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-methyl-3-morpholin-4-yl-1,2-thiazole 1,1-dioxide
PubChem CID20934699
Molecular FormulaC14H15FN2O3S
Molecular Weight310.35 g/mol
Exact Mass310.08
IUPAC Name5-(4-fluorophenyl)-4-methyl-3-morpholin-4-yl-1,2-thiazole 1,1-dioxide
SMILESCC1=C(c2ccc(F)cc2)S(=O)(=O)N=C1N1CCOCC1
InChIInChI=1S/C14H15FN2O3S/c1-10-13(11-2-4-12(15)5-3-11)21(18,19)16-14(10)17-6-8-20-9-7-17/h2-5H,6-9H2,1H3
InChIKeyDFWMURKXJZVAMG-UHFFFAOYSA-N
XLogP1.63
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-methyl-3-morpholin-4-yl-1,2-thiazole 1,1-dioxide?
The IUPAC name of 5-(4-fluorophenyl)-4-methyl-3-morpholin-4-yl-1,2-thiazole 1,1-dioxide (CID 20934699) is 5-(4-fluorophenyl)-4-methyl-3-morpholin-4-yl-1,2-thiazole 1,1-dioxide.
What is the SMILES notation for 5-(4-fluorophenyl)-4-methyl-3-morpholin-4-yl-1,2-thiazole 1,1-dioxide?
The canonical SMILES for 5-(4-fluorophenyl)-4-methyl-3-morpholin-4-yl-1,2-thiazole 1,1-dioxide is CC1=C(c2ccc(F)cc2)S(=O)(=O)N=C1N1CCOCC1.
What is the InChIKey of 5-(4-fluorophenyl)-4-methyl-3-morpholin-4-yl-1,2-thiazole 1,1-dioxide?
The InChIKey is DFWMURKXJZVAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3S/c1-10-13(11-2-4-12(15)5-3-11)21(18,19)16-14(10)17-6-8-20-9-7-17/h2-5H,6-9H2,1H3.
What are the key properties of 5-(4-fluorophenyl)-4-methyl-3-morpholin-4-yl-1,2-thiazole 1,1-dioxide?
5-(4-fluorophenyl)-4-methyl-3-morpholin-4-yl-1,2-thiazole 1,1-dioxide has a molecular weight of 310.35 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-methyl-3-morpholin-4-yl-1,2-thiazole 1,1-dioxide is sourced from PubChem (CID 20934699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).