4-[(1R)-1-[4-(5-propyl-1,3,4-thiadiazol-2-yl)phenyl]ethyl]morpholine

C17H23N3OS — CID 126437472

IUPAC4-[(1R)-1-[4-(5-propyl-1,3,4-thiadiazol-2-yl)phenyl]ethyl]morpholine
SMILESCCCc1nnc(-c2ccc([C@@H](C)N3CCOCC3)cc2)s1
InChIInChI=1S/C17H23N3OS/c1-3-4-16-18-19-17(22-16)15-7-5-14(6-8-15)13(2)20-9-11-21-12-10-20/h5-8,13H,3-4,9-12H2,1-2H3/t13-/m1/s1
InChIKeyIECYTQZUHRNGJZ-CYBMUJFWSA-N
MW317.46 g/mol
LogP3.55
Rot. Bonds5

About 4-[(1R)-1-[4-(5-propyl-1,3,4-thiadiazol-2-yl)phenyl]ethyl]morpholine

4-[(1R)-1-[4-(5-propyl-1,3,4-thiadiazol-2-yl)phenyl]ethyl]morpholine (PubChem CID 126437472) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is 4-[(1R)-1-[4-(5-propyl-1,3,4-thiadiazol-2-yl)phenyl]ethyl]morpholine.

Molecular Properties

Compound Name4-[(1R)-1-[4-(5-propyl-1,3,4-thiadiazol-2-yl)phenyl]ethyl]morpholine
PubChem CID126437472
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC Name4-[(1R)-1-[4-(5-propyl-1,3,4-thiadiazol-2-yl)phenyl]ethyl]morpholine
SMILESCCCc1nnc(-c2ccc([C@@H](C)N3CCOCC3)cc2)s1
InChIInChI=1S/C17H23N3OS/c1-3-4-16-18-19-17(22-16)15-7-5-14(6-8-15)13(2)20-9-11-21-12-10-20/h5-8,13H,3-4,9-12H2,1-2H3/t13-/m1/s1
InChIKeyIECYTQZUHRNGJZ-CYBMUJFWSA-N
XLogP3.55
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1R)-1-[4-(2,6-dimethyl-4-pyridinyl)phenyl]ethyl]morpholine
CID 125442567
4-[(1S)-1-[4-(2-ethyl-1,2,4-triazol-3-yl)phenyl]ethyl]morpholine
CID 126444550
4-(1-morpholin-4-ylethyl)aniline
CID 50987527
2-propyl-5-[7-(5-propyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole
CID 58037401
4-[(1S)-1-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]ethyl]morpholine
CID 126434299
4-[1-[4-(4,5-dimethylpyridazin-3-yl)phenyl]ethyl]morpholine
CID 163314713
6-[4-(1-morpholin-4-ylethyl)phenyl]pyridazine-3-carboxylic acid
CID 122563480
7,16-bis[(1R)-1-phenylethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 12990897
4-(1-phenylethyl)morpholine;hydrochloride
CID 3057369
4-[4-ethyl-6-[4-(1-morpholin-4-ylethyl)phenyl]pyrimidin-2-yl]morpholine
CID 50983209
4-[(1S)-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]morpholine
CID 126430266
2-butyl-5-(4-ethylphenyl)-1,3,4-thiadiazole
CID 19880000

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-[4-(5-propyl-1,3,4-thiadiazol-2-yl)phenyl]ethyl]morpholine?
The IUPAC name of 4-[(1R)-1-[4-(5-propyl-1,3,4-thiadiazol-2-yl)phenyl]ethyl]morpholine (CID 126437472) is 4-[(1R)-1-[4-(5-propyl-1,3,4-thiadiazol-2-yl)phenyl]ethyl]morpholine.
What is the SMILES notation for 4-[(1R)-1-[4-(5-propyl-1,3,4-thiadiazol-2-yl)phenyl]ethyl]morpholine?
The canonical SMILES for 4-[(1R)-1-[4-(5-propyl-1,3,4-thiadiazol-2-yl)phenyl]ethyl]morpholine is CCCc1nnc(-c2ccc([C@@H](C)N3CCOCC3)cc2)s1.
What is the InChIKey of 4-[(1R)-1-[4-(5-propyl-1,3,4-thiadiazol-2-yl)phenyl]ethyl]morpholine?
The InChIKey is IECYTQZUHRNGJZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-3-4-16-18-19-17(22-16)15-7-5-14(6-8-15)13(2)20-9-11-21-12-10-20/h5-8,13H,3-4,9-12H2,1-2H3/t13-/m1/s1.
What are the key properties of 4-[(1R)-1-[4-(5-propyl-1,3,4-thiadiazol-2-yl)phenyl]ethyl]morpholine?
4-[(1R)-1-[4-(5-propyl-1,3,4-thiadiazol-2-yl)phenyl]ethyl]morpholine has a molecular weight of 317.46 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-[4-(5-propyl-1,3,4-thiadiazol-2-yl)phenyl]ethyl]morpholine is sourced from PubChem (CID 126437472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).