[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

C20H24N6O2S2 — CID 124965418

IUPAC[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
SMILESCNc1nc(C)c(C(=O)N2CCO[C@H](c3cc(Nc4nc(C)cs4)cc(C)n3)C2)s1
InChIInChI=1S/C20H24N6O2S2/c1-11-7-14(25-20-23-12(2)10-29-20)8-15(22-11)16-9-26(5-6-28-16)18(27)17-13(3)24-19(21-4)30-17/h7-8,10,16H,5-6,9H2,1-4H3,(H,21,24)(H,22,23,25)/t16-/m0/s1
InChIKeyIESLRTNHOTZKDJ-INIZCTEOSA-N
MW444.59 g/mol
LogP3.92
Rot. Bonds5

About [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

[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 (PubChem CID 124965418) has the molecular formula C20H24N6O2S2 and a molecular weight of 444.59 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID124965418
Molecular FormulaC20H24N6O2S2
Molecular Weight444.59 g/mol
Exact Mass444.14
IUPAC Name[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
SMILESCNc1nc(C)c(C(=O)N2CCO[C@H](c3cc(Nc4nc(C)cs4)cc(C)n3)C2)s1
InChIInChI=1S/C20H24N6O2S2/c1-11-7-14(25-20-23-12(2)10-29-20)8-15(22-11)16-9-26(5-6-28-16)18(27)17-13(3)24-19(21-4)30-17/h7-8,10,16H,5-6,9H2,1-4H3,(H,21,24)(H,22,23,25)/t16-/m0/s1
InChIKeyIESLRTNHOTZKDJ-INIZCTEOSA-N
XLogP3.92
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.59
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze [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 with MolForge

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Related Compounds

(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
(2,4-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
[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 124995524
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
(3-methoxyphenyl)-[(2S)-2-[6-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]methanone
CID 125013159
(1-ethylpyrazol-4-yl)-[2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone
CID 110113502
[(2R)-2-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-pyridin-2-ylmethanone
CID 124986138
cyclohexyl-[(2S)-2-[6-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]methanone
CID 124991788
[(2S)-2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-phenylmethanone
CID 124967445
1-[(2S)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 124990126
(2-fluorophenyl)-[(2S)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone
CID 125015560
1H-indol-2-yl-[2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone
CID 110113526

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is CNc1nc(C)c(C(=O)N2CCO[C@H](c3cc(Nc4nc(C)cs4)cc(C)n3)C2)s1.
What is the InChIKey of [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?
The InChIKey is IESLRTNHOTZKDJ-INIZCTEOSA-N. The full InChI is InChI=1S/C20H24N6O2S2/c1-11-7-14(25-20-23-12(2)10-29-20)8-15(22-11)16-9-26(5-6-28-16)18(27)17-13(3)24-19(21-4)30-17/h7-8,10,16H,5-6,9H2,1-4H3,(H,21,24)(H,22,23,25)/t16-/m0/s1.
What are the key properties of [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?
[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 has a molecular weight of 444.59 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 124965418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).