4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(2,4-dimethylphenyl)morpholine

C15H17F2N3OS — CID 71913733

IUPAC4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(2,4-dimethylphenyl)morpholine
SMILESCc1ccc(C2CN(c3nnc(C(F)F)s3)CCO2)c(C)c1
InChIInChI=1S/C15H17F2N3OS/c1-9-3-4-11(10(2)7-9)12-8-20(5-6-21-12)15-19-18-14(22-15)13(16)17/h3-4,7,12-13H,5-6,8H2,1-2H3
InChIKeyUVVPIJZJDKDKLG-UHFFFAOYSA-N
MW325.38 g/mol
LogP3.67
Rot. Bonds3

About 4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(2,4-dimethylphenyl)morpholine

4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(2,4-dimethylphenyl)morpholine (PubChem CID 71913733) has the molecular formula C15H17F2N3OS and a molecular weight of 325.38 g/mol. Its IUPAC name is 4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(2,4-dimethylphenyl)morpholine.

Molecular Properties

Compound Name4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(2,4-dimethylphenyl)morpholine
PubChem CID71913733
Molecular FormulaC15H17F2N3OS
Molecular Weight325.38 g/mol
Exact Mass325.11
IUPAC Name4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(2,4-dimethylphenyl)morpholine
SMILESCc1ccc(C2CN(c3nnc(C(F)F)s3)CCO2)c(C)c1
InChIInChI=1S/C15H17F2N3OS/c1-9-3-4-11(10(2)7-9)12-8-20(5-6-21-12)15-19-18-14(22-15)13(16)17/h3-4,7,12-13H,5-6,8H2,1-2H3
InChIKeyUVVPIJZJDKDKLG-UHFFFAOYSA-N
XLogP3.67
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(2,4-dimethylphenyl)morpholine?
The IUPAC name of 4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(2,4-dimethylphenyl)morpholine (CID 71913733) is 4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(2,4-dimethylphenyl)morpholine.
What is the SMILES notation for 4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(2,4-dimethylphenyl)morpholine?
The canonical SMILES for 4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(2,4-dimethylphenyl)morpholine is Cc1ccc(C2CN(c3nnc(C(F)F)s3)CCO2)c(C)c1.
What is the InChIKey of 4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(2,4-dimethylphenyl)morpholine?
The InChIKey is UVVPIJZJDKDKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3OS/c1-9-3-4-11(10(2)7-9)12-8-20(5-6-21-12)15-19-18-14(22-15)13(16)17/h3-4,7,12-13H,5-6,8H2,1-2H3.
What are the key properties of 4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(2,4-dimethylphenyl)morpholine?
4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(2,4-dimethylphenyl)morpholine has a molecular weight of 325.38 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(2,4-dimethylphenyl)morpholine is sourced from PubChem (CID 71913733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).