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

C15H17F2N3OS — CID 97069785

IUPAC(2S)-4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(2,4-dimethylphenyl)morpholine
SMILESCc1ccc([C@H]2CN(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/t12-/m1/s1
InChIKeyUVVPIJZJDKDKLG-GFCCVEGCSA-N
MW325.38 g/mol
LogP3.67
Rot. Bonds3

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

(2S)-4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(2,4-dimethylphenyl)morpholine (PubChem CID 97069785) has the molecular formula C15H17F2N3OS and a molecular weight of 325.38 g/mol. Its IUPAC name is (2S)-4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(2,4-dimethylphenyl)morpholine.

Molecular Properties

Compound Name(2S)-4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(2,4-dimethylphenyl)morpholine
PubChem CID97069785
Molecular FormulaC15H17F2N3OS
Molecular Weight325.38 g/mol
Exact Mass325.11
IUPAC Name(2S)-4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(2,4-dimethylphenyl)morpholine
SMILESCc1ccc([C@H]2CN(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/t12-/m1/s1
InChIKeyUVVPIJZJDKDKLG-GFCCVEGCSA-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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Related Compounds

4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449940
(2S)-2-(2,4-dimethylphenyl)-4-(3,3,3-trifluoropropyl)morpholine
CID 100629903
2-(2,4-dimethylphenyl)-4-(2-propan-2-ylsulfonylethyl)morpholine
CID 71977182
1-[2-(2,4-dimethylphenyl)morpholin-4-yl]-3-methoxypropan-2-ol
CID 71869593
2-(3-chloropyrrolidin-1-yl)-5-(difluoromethyl)-1,3,4-thiadiazole
CID 130563613
2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole
CID 133383596
2-(2-methylphenyl)-4-[1-(4-methylphenyl)tetrazol-5-yl]morpholine
CID 133354117
2-(2,4-dimethylphenyl)-4-[2-(methoxymethyl)-4-nitrophenyl]morpholine
CID 133341079
(2S)-2-amino-1-[2-(2,4-dimethylphenyl)morpholin-4-yl]-4-methylsulfanylbutan-1-one
CID 75429794
(2S)-2-amino-1-[2-(2,4-dimethylphenyl)morpholin-4-yl]-4-methylsulfanylbutan-1-one;hydrochloride
CID 75429793
2-[2-(2-methylphenyl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133354231
(2S)-2-ethynyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine
CID 162374957

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(2,4-dimethylphenyl)morpholine?
The IUPAC name of (2S)-4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(2,4-dimethylphenyl)morpholine (CID 97069785) is (2S)-4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(2,4-dimethylphenyl)morpholine.
What is the SMILES notation for (2S)-4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(2,4-dimethylphenyl)morpholine?
The canonical SMILES for (2S)-4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(2,4-dimethylphenyl)morpholine is Cc1ccc([C@H]2CN(c3nnc(C(F)F)s3)CCO2)c(C)c1.
What is the InChIKey of (2S)-4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(2,4-dimethylphenyl)morpholine?
The InChIKey is UVVPIJZJDKDKLG-GFCCVEGCSA-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/t12-/m1/s1.
What are the key properties of (2S)-4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(2,4-dimethylphenyl)morpholine?
(2S)-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 (2S)-4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(2,4-dimethylphenyl)morpholine is sourced from PubChem (CID 97069785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).