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

C20H22N4OS — CID 124829122

IUPAC(2S,5S)-2-(2,5-dimethylphenyl)-5-methyl-4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)morpholine
SMILESCc1ccc(C)c([C@H]2CN(c3nnc(-c4ccccn4)s3)[C@@H](C)CO2)c1
InChIInChI=1S/C20H22N4OS/c1-13-7-8-14(2)16(10-13)18-11-24(15(3)12-25-18)20-23-22-19(26-20)17-6-4-5-9-21-17/h4-10,15,18H,11-12H2,1-3H3/t15-,18+/m0/s1
InChIKeyCZRFLSXNOGYJQS-MAUKXSAKSA-N
MW366.49 g/mol
LogP4.18
Rot. Bonds3

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

(2S,5S)-2-(2,5-dimethylphenyl)-5-methyl-4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)morpholine (PubChem CID 124829122) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is (2S,5S)-2-(2,5-dimethylphenyl)-5-methyl-4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)morpholine.

Molecular Properties

Compound Name(2S,5S)-2-(2,5-dimethylphenyl)-5-methyl-4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)morpholine
PubChem CID124829122
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC Name(2S,5S)-2-(2,5-dimethylphenyl)-5-methyl-4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)morpholine
SMILESCc1ccc(C)c([C@H]2CN(c3nnc(-c4ccccn4)s3)[C@@H](C)CO2)c1
InChIInChI=1S/C20H22N4OS/c1-13-7-8-14(2)16(10-13)18-11-24(15(3)12-25-18)20-23-22-19(26-20)17-6-4-5-9-21-17/h4-10,15,18H,11-12H2,1-3H3/t15-,18+/m0/s1
InChIKeyCZRFLSXNOGYJQS-MAUKXSAKSA-N
XLogP4.18
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,5S)-2-(2,5-dimethylphenyl)-5-methyl-4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)morpholine?
The IUPAC name of (2S,5S)-2-(2,5-dimethylphenyl)-5-methyl-4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)morpholine (CID 124829122) is (2S,5S)-2-(2,5-dimethylphenyl)-5-methyl-4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)morpholine.
What is the SMILES notation for (2S,5S)-2-(2,5-dimethylphenyl)-5-methyl-4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)morpholine?
The canonical SMILES for (2S,5S)-2-(2,5-dimethylphenyl)-5-methyl-4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)morpholine is Cc1ccc(C)c([C@H]2CN(c3nnc(-c4ccccn4)s3)[C@@H](C)CO2)c1.
What is the InChIKey of (2S,5S)-2-(2,5-dimethylphenyl)-5-methyl-4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)morpholine?
The InChIKey is CZRFLSXNOGYJQS-MAUKXSAKSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-13-7-8-14(2)16(10-13)18-11-24(15(3)12-25-18)20-23-22-19(26-20)17-6-4-5-9-21-17/h4-10,15,18H,11-12H2,1-3H3/t15-,18+/m0/s1.
What are the key properties of (2S,5S)-2-(2,5-dimethylphenyl)-5-methyl-4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)morpholine?
(2S,5S)-2-(2,5-dimethylphenyl)-5-methyl-4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)morpholine has a molecular weight of 366.49 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-2-(2,5-dimethylphenyl)-5-methyl-4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)morpholine is sourced from PubChem (CID 124829122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).