(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

C19H22N6O2S2 — CID 125017021

IUPAC(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
SMILESCCc1nnc(Nc2cccc([C@@H]3CN(C(=O)c4sc(C)nc4C)CCO3)n2)s1
InChIInChI=1S/C19H22N6O2S2/c1-4-16-23-24-19(29-16)22-15-7-5-6-13(21-15)14-10-25(8-9-27-14)18(26)17-11(2)20-12(3)28-17/h5-7,14H,4,8-10H2,1-3H3,(H,21,22,24)/t14-/m0/s1
InChIKeyXEJBKJRQETZKOE-AWEZNQCLSA-N
MW430.56 g/mol
LogP3.53
Rot. Bonds5

About (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

(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 (PubChem CID 125017021) has the molecular formula C19H22N6O2S2 and a molecular weight of 430.56 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID125017021
Molecular FormulaC19H22N6O2S2
Molecular Weight430.56 g/mol
Exact Mass430.12
IUPAC Name(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
SMILESCCc1nnc(Nc2cccc([C@@H]3CN(C(=O)c4sc(C)nc4C)CCO3)n2)s1
InChIInChI=1S/C19H22N6O2S2/c1-4-16-23-24-19(29-16)22-15-7-5-6-13(21-15)14-10-25(8-9-27-14)18(26)17-11(2)20-12(3)28-17/h5-7,14H,4,8-10H2,1-3H3,(H,21,22,24)/t14-/m0/s1
InChIKeyXEJBKJRQETZKOE-AWEZNQCLSA-N
XLogP3.53
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

(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-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]-(2-methoxy-3-methylphenyl)methanone
CID 125021896
5-ethyl-N-[6-[(2R)-4-[(2-methylphenyl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine
CID 125016543
1-[(2S)-2-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 125016718
5-ethyl-N-[6-[4-(2-phenylethyl)morpholin-2-yl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine
CID 127249704
[(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-(3-methoxyphenyl)-1-[2-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]ethanone
CID 127249734
2-(2-methylindol-1-yl)-1-[(2R)-2-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]ethanone
CID 124979516
1-[2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 110265059
[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 124995524
1-[(2R)-2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-methoxyethanone
CID 124966605

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CCc1nnc(Nc2cccc([C@@H]3CN(C(=O)c4sc(C)nc4C)CCO3)n2)s1.
What is the InChIKey of (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?
The InChIKey is XEJBKJRQETZKOE-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22N6O2S2/c1-4-16-23-24-19(29-16)22-15-7-5-6-13(21-15)14-10-25(8-9-27-14)18(26)17-11(2)20-12(3)28-17/h5-7,14H,4,8-10H2,1-3H3,(H,21,22,24)/t14-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 430.56 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 125017021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).