5-ethyl-N-[6-[(2R)-4-[(2-methylphenyl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine

C21H25N5OS — CID 125016543

IUPAC5-ethyl-N-[6-[(2R)-4-[(2-methylphenyl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(Nc2cccc([C@H]3CN(Cc4ccccc4C)CCO3)n2)s1
InChIInChI=1S/C21H25N5OS/c1-3-20-24-25-21(28-20)23-19-10-6-9-17(22-19)18-14-26(11-12-27-18)13-16-8-5-4-7-15(16)2/h4-10,18H,3,11-14H2,1-2H3,(H,22,23,25)/t18-/m1/s1
InChIKeyXBEOWBARRIXILS-GOSISDBHSA-N
MW395.53 g/mol
LogP4.12
Rot. Bonds6

About 5-ethyl-N-[6-[(2R)-4-[(2-methylphenyl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine

5-ethyl-N-[6-[(2R)-4-[(2-methylphenyl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine (PubChem CID 125016543) has the molecular formula C21H25N5OS and a molecular weight of 395.53 g/mol. Its IUPAC name is 5-ethyl-N-[6-[(2R)-4-[(2-methylphenyl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-ethyl-N-[6-[(2R)-4-[(2-methylphenyl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine
PubChem CID125016543
Molecular FormulaC21H25N5OS
Molecular Weight395.53 g/mol
Exact Mass395.18
IUPAC Name5-ethyl-N-[6-[(2R)-4-[(2-methylphenyl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(Nc2cccc([C@H]3CN(Cc4ccccc4C)CCO3)n2)s1
InChIInChI=1S/C21H25N5OS/c1-3-20-24-25-21(28-20)23-19-10-6-9-17(22-19)18-14-26(11-12-27-18)13-16-8-5-4-7-15(16)2/h4-10,18H,3,11-14H2,1-2H3,(H,22,23,25)/t18-/m1/s1
InChIKeyXBEOWBARRIXILS-GOSISDBHSA-N
XLogP4.12
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-ethyl-N-[6-[4-(2-phenylethyl)morpholin-2-yl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine
CID 127249704
[(2S)-2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]-(2-methoxy-3-methylphenyl)methanone
CID 125021896
5-methyl-N-[6-[4-(quinolin-5-ylmethyl)morpholin-2-yl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine
CID 127249866
(2,4-dimethyl-1,3-thiazol-5-yl)-[(2S)-2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]methanone
CID 125017021
N-[6-[(2S)-4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-2-pyridinyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 124977478
N-[6-[4-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]morpholin-2-yl]-2-pyridinyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 127249888
6-[(2S)-4-[(2-methylphenyl)methyl]morpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine
CID 124948303
N-[6-[(2R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-2-pyridinyl]-4,5-dimethyl-1,3-thiazol-2-amine
CID 124943201
5-methyl-N-[6-[(2R)-4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine
CID 125002482
4,5-dimethyl-N-[6-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine
CID 110093061
6-[(2R)-4-[(2-chlorophenyl)methyl]morpholin-2-yl]-N-pyridin-2-ylpyridin-2-amine
CID 124980334
4,5-dimethyl-N-[6-[(2R)-4-[(2-methylpyrazol-3-yl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine
CID 124958407

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[6-[(2R)-4-[(2-methylphenyl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-ethyl-N-[6-[(2R)-4-[(2-methylphenyl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine (CID 125016543) is 5-ethyl-N-[6-[(2R)-4-[(2-methylphenyl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-ethyl-N-[6-[(2R)-4-[(2-methylphenyl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-ethyl-N-[6-[(2R)-4-[(2-methylphenyl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine is CCc1nnc(Nc2cccc([C@H]3CN(Cc4ccccc4C)CCO3)n2)s1.
What is the InChIKey of 5-ethyl-N-[6-[(2R)-4-[(2-methylphenyl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is XBEOWBARRIXILS-GOSISDBHSA-N. The full InChI is InChI=1S/C21H25N5OS/c1-3-20-24-25-21(28-20)23-19-10-6-9-17(22-19)18-14-26(11-12-27-18)13-16-8-5-4-7-15(16)2/h4-10,18H,3,11-14H2,1-2H3,(H,22,23,25)/t18-/m1/s1.
What are the key properties of 5-ethyl-N-[6-[(2R)-4-[(2-methylphenyl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine?
5-ethyl-N-[6-[(2R)-4-[(2-methylphenyl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 395.53 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[6-[(2R)-4-[(2-methylphenyl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 125016543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).