(2S,5S)-5-methyl-2-phenyl-4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)morpholine

C18H18N4OS — CID 99836974

IUPAC(2S,5S)-5-methyl-2-phenyl-4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)morpholine
SMILESC[C@H]1CO[C@@H](c2ccccc2)CN1c1nnc(-c2ccccn2)s1
InChIInChI=1S/C18H18N4OS/c1-13-12-23-16(14-7-3-2-4-8-14)11-22(13)18-21-20-17(24-18)15-9-5-6-10-19-15/h2-10,13,16H,11-12H2,1H3/t13-,16+/m0/s1
InChIKeyWWGDEOYDKSKABU-XJKSGUPXSA-N
MW338.44 g/mol
LogP3.57
Rot. Bonds3

About (2S,5S)-5-methyl-2-phenyl-4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)morpholine

(2S,5S)-5-methyl-2-phenyl-4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)morpholine (PubChem CID 99836974) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is (2S,5S)-5-methyl-2-phenyl-4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)morpholine.

Molecular Properties

Compound Name(2S,5S)-5-methyl-2-phenyl-4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)morpholine
PubChem CID99836974
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC Name(2S,5S)-5-methyl-2-phenyl-4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)morpholine
SMILESC[C@H]1CO[C@@H](c2ccccc2)CN1c1nnc(-c2ccccn2)s1
InChIInChI=1S/C18H18N4OS/c1-13-12-23-16(14-7-3-2-4-8-14)11-22(13)18-21-20-17(24-18)15-9-5-6-10-19-15/h2-10,13,16H,11-12H2,1H3/t13-,16+/m0/s1
InChIKeyWWGDEOYDKSKABU-XJKSGUPXSA-N
XLogP3.57
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,5S)-2-(2,5-dimethylphenyl)-5-methyl-4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)morpholine
CID 124829122
2-[(2R,4R)-4-methyl-2-pyridin-3-ylpyrrolidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole
CID 124864244
2-[(2S,4R)-4-methyl-2-pyridin-3-ylpyrrolidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole
CID 124864243
(2R,6R)-2-(4-fluorophenyl)-6-methyl-4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)morpholine
CID 100687721
2-[(2R,4R)-2-(4-methoxyphenyl)-4-methylpyrrolidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole
CID 124863673
2-[(2R,4R)-2-(3-methoxyphenyl)-4-methylpyrrolidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole
CID 124735168
1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)azetidine-3-carboxylic acid
CID 122064429
2-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole
CID 99822591
2-[2-(3-fluorophenyl)pyrrolidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole
CID 119039301
2-[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole
CID 100687840
2-[(3S,4S)-4-methyl-1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]acetic acid
CID 154771477
(2R)-1-[4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]propan-2-ol
CID 133486328

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-5-methyl-2-phenyl-4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)morpholine?
The IUPAC name of (2S,5S)-5-methyl-2-phenyl-4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)morpholine (CID 99836974) is (2S,5S)-5-methyl-2-phenyl-4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)morpholine.
What is the SMILES notation for (2S,5S)-5-methyl-2-phenyl-4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)morpholine?
The canonical SMILES for (2S,5S)-5-methyl-2-phenyl-4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)morpholine is C[C@H]1CO[C@@H](c2ccccc2)CN1c1nnc(-c2ccccn2)s1.
What is the InChIKey of (2S,5S)-5-methyl-2-phenyl-4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)morpholine?
The InChIKey is WWGDEOYDKSKABU-XJKSGUPXSA-N. The full InChI is InChI=1S/C18H18N4OS/c1-13-12-23-16(14-7-3-2-4-8-14)11-22(13)18-21-20-17(24-18)15-9-5-6-10-19-15/h2-10,13,16H,11-12H2,1H3/t13-,16+/m0/s1.
What are the key properties of (2S,5S)-5-methyl-2-phenyl-4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)morpholine?
(2S,5S)-5-methyl-2-phenyl-4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)morpholine has a molecular weight of 338.44 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-5-methyl-2-phenyl-4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)morpholine is sourced from PubChem (CID 99836974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).