cyclohexyl-[(2S)-2-[6-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]methanone

C20H27N5O2S — CID 124991788

IUPACcyclohexyl-[(2S)-2-[6-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]methanone
SMILESCc1cc(Nc2nnc(C)s2)cc([C@@H]2CN(C(=O)C3CCCCC3)CCO2)n1
InChIInChI=1S/C20H27N5O2S/c1-13-10-16(22-20-24-23-14(2)28-20)11-17(21-13)18-12-25(8-9-27-18)19(26)15-6-4-3-5-7-15/h10-11,15,18H,3-9,12H2,1-2H3,(H,21,22,24)/t18-/m0/s1
InChIKeyPLRWYRRUTXTGBQ-SFHVURJKSA-N
MW401.54 g/mol
LogP3.77
Rot. Bonds4

About cyclohexyl-[(2S)-2-[6-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]methanone

cyclohexyl-[(2S)-2-[6-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]methanone (PubChem CID 124991788) has the molecular formula C20H27N5O2S and a molecular weight of 401.54 g/mol. Its IUPAC name is cyclohexyl-[(2S)-2-[6-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[(2S)-2-[6-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]methanone
PubChem CID124991788
Molecular FormulaC20H27N5O2S
Molecular Weight401.54 g/mol
Exact Mass401.19
IUPAC Namecyclohexyl-[(2S)-2-[6-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]methanone
SMILESCc1cc(Nc2nnc(C)s2)cc([C@@H]2CN(C(=O)C3CCCCC3)CCO2)n1
InChIInChI=1S/C20H27N5O2S/c1-13-10-16(22-20-24-23-14(2)28-20)11-17(21-13)18-12-25(8-9-27-18)19(26)15-6-4-3-5-7-15/h10-11,15,18H,3-9,12H2,1-2H3,(H,21,22,24)/t18-/m0/s1
InChIKeyPLRWYRRUTXTGBQ-SFHVURJKSA-N
XLogP3.77
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.54
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3-methoxyphenyl)-[(2S)-2-[6-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]methanone
CID 125013159
(2,4-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
(2,4-dimethyl-1,3-thiazol-5-yl)-[2-[6-methyl-4-(1,3,4-thiadiazol-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone
CID 127251619
[2-[6-methyl-4-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 110093626
cyclopentyl-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]methanone
CID 155984921
[(2R)-2-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-pyridin-2-ylmethanone
CID 124986138
1-[(2R)-2-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-2-phenoxyethanone
CID 124965152
cyclopentyl-[4-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone
CID 127244684
1-[2-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-3-morpholin-4-ylpropan-1-one
CID 110093631
[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[(2S)-2-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]methanone
CID 124965418
[(2S)-2-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-(3-methoxyphenyl)methanone
CID 124983996
1-[(2R)-2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-2-methoxyethanone
CID 124990655

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[(2S)-2-[6-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]methanone?
The IUPAC name of cyclohexyl-[(2S)-2-[6-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]methanone (CID 124991788) is cyclohexyl-[(2S)-2-[6-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]methanone.
What is the SMILES notation for cyclohexyl-[(2S)-2-[6-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]methanone?
The canonical SMILES for cyclohexyl-[(2S)-2-[6-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]methanone is Cc1cc(Nc2nnc(C)s2)cc([C@@H]2CN(C(=O)C3CCCCC3)CCO2)n1.
What is the InChIKey of cyclohexyl-[(2S)-2-[6-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]methanone?
The InChIKey is PLRWYRRUTXTGBQ-SFHVURJKSA-N. The full InChI is InChI=1S/C20H27N5O2S/c1-13-10-16(22-20-24-23-14(2)28-20)11-17(21-13)18-12-25(8-9-27-18)19(26)15-6-4-3-5-7-15/h10-11,15,18H,3-9,12H2,1-2H3,(H,21,22,24)/t18-/m0/s1.
What are the key properties of cyclohexyl-[(2S)-2-[6-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]methanone?
cyclohexyl-[(2S)-2-[6-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]methanone has a molecular weight of 401.54 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[(2S)-2-[6-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]methanone is sourced from PubChem (CID 124991788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).