1-[(2R)-2-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-2-phenoxyethanone

C22H25N5O3S — CID 124965152

IUPAC1-[(2R)-2-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-2-phenoxyethanone
SMILESCCc1nnc(Nc2cc(C)nc([C@H]3CN(C(=O)COc4ccccc4)CCO3)c2)s1
InChIInChI=1S/C22H25N5O3S/c1-3-20-25-26-22(31-20)24-16-11-15(2)23-18(12-16)19-13-27(9-10-29-19)21(28)14-30-17-7-5-4-6-8-17/h4-8,11-12,19H,3,9-10,13-14H2,1-2H3,(H,23,24,26)/t19-/m1/s1
InChIKeyICTLRJVZKRCDIE-LJQANCHMSA-N
MW439.54 g/mol
LogP3.53
Rot. Bonds7

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

1-[(2R)-2-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-2-phenoxyethanone (PubChem CID 124965152) has the molecular formula C22H25N5O3S and a molecular weight of 439.54 g/mol. Its IUPAC name is 1-[(2R)-2-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[(2R)-2-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-2-phenoxyethanone
PubChem CID124965152
Molecular FormulaC22H25N5O3S
Molecular Weight439.54 g/mol
Exact Mass439.17
IUPAC Name1-[(2R)-2-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-2-phenoxyethanone
SMILESCCc1nnc(Nc2cc(C)nc([C@H]3CN(C(=O)COc4ccccc4)CCO3)c2)s1
InChIInChI=1S/C22H25N5O3S/c1-3-20-25-26-22(31-20)24-16-11-15(2)23-18(12-16)19-13-27(9-10-29-19)21(28)14-30-17-7-5-4-6-8-17/h4-8,11-12,19H,3,9-10,13-14H2,1-2H3,(H,23,24,26)/t19-/m1/s1
InChIKeyICTLRJVZKRCDIE-LJQANCHMSA-N
XLogP3.53
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[(2R)-2-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-pyridin-2-ylmethanone
CID 124986138
[(2S)-2-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-(3-methoxyphenyl)methanone
CID 124983996
(2,4-dimethyl-1,3-thiazol-5-yl)-[2-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]methanone
CID 127251620
1-[(2R)-2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-2-methoxyethanone
CID 124990655
(3-methoxyphenyl)-[(2S)-2-[6-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]methanone
CID 125013159
2-(3-methoxyphenyl)-1-[2-[6-methyl-4-(1,3,4-thiadiazol-2-ylamino)-2-pyridinyl]morpholin-4-yl]ethanone
CID 127251609
[(2S)-2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-phenylmethanone
CID 124967445
2-(2-fluorophenoxy)-1-[(2R)-2-[6-methyl-4-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]ethanone
CID 124989078
1-[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-2-(4-fluorophenoxy)ethanone
CID 125012935
1-[2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-2-(4-fluorophenoxy)ethanone
CID 110116012
cyclohexyl-[(2S)-2-[6-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]methanone
CID 124991788
(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

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-2-phenoxyethanone?
The IUPAC name of 1-[(2R)-2-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-2-phenoxyethanone (CID 124965152) is 1-[(2R)-2-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[(2R)-2-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[(2R)-2-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-2-phenoxyethanone is CCc1nnc(Nc2cc(C)nc([C@H]3CN(C(=O)COc4ccccc4)CCO3)c2)s1.
What is the InChIKey of 1-[(2R)-2-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-2-phenoxyethanone?
The InChIKey is ICTLRJVZKRCDIE-LJQANCHMSA-N. The full InChI is InChI=1S/C22H25N5O3S/c1-3-20-25-26-22(31-20)24-16-11-15(2)23-18(12-16)19-13-27(9-10-29-19)21(28)14-30-17-7-5-4-6-8-17/h4-8,11-12,19H,3,9-10,13-14H2,1-2H3,(H,23,24,26)/t19-/m1/s1.
What are the key properties of 1-[(2R)-2-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-2-phenoxyethanone?
1-[(2R)-2-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-2-phenoxyethanone has a molecular weight of 439.54 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-2-phenoxyethanone is sourced from PubChem (CID 124965152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).