2-[(2S)-2-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]-N,N-diethylacetamide

C20H29N5O2S — CID 124947455

IUPAC2-[(2S)-2-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCO[C@H](c2cccc(Nc3nc(C)c(C)s3)n2)C1
InChIInChI=1S/C20H29N5O2S/c1-5-25(6-2)19(26)13-24-10-11-27-17(12-24)16-8-7-9-18(22-16)23-20-21-14(3)15(4)28-20/h7-9,17H,5-6,10-13H2,1-4H3,(H,21,22,23)/t17-/m0/s1
InChIKeyCFVQOOTYIJVNGB-KRWDZBQOSA-N
MW403.55 g/mol
LogP3.14
Rot. Bonds7

About 2-[(2S)-2-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]-N,N-diethylacetamide

2-[(2S)-2-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]-N,N-diethylacetamide (PubChem CID 124947455) has the molecular formula C20H29N5O2S and a molecular weight of 403.55 g/mol. Its IUPAC name is 2-[(2S)-2-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[(2S)-2-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]-N,N-diethylacetamide
PubChem CID124947455
Molecular FormulaC20H29N5O2S
Molecular Weight403.55 g/mol
Exact Mass403.20
IUPAC Name2-[(2S)-2-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCO[C@H](c2cccc(Nc3nc(C)c(C)s3)n2)C1
InChIInChI=1S/C20H29N5O2S/c1-5-25(6-2)19(26)13-24-10-11-27-17(12-24)16-8-7-9-18(22-16)23-20-21-14(3)15(4)28-20/h7-9,17H,5-6,10-13H2,1-4H3,(H,21,22,23)/t17-/m0/s1
InChIKeyCFVQOOTYIJVNGB-KRWDZBQOSA-N
XLogP3.14
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.55
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]-N,N-diethylacetamide
CID 110092972
4,5-dimethyl-N-[6-[(2S)-4-(2-methylpropyl)morpholin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine
CID 124987252
1-[(2S)-2-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 125016718
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
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
4,5-dimethyl-N-[6-[(2R)-4-[(2-methylpyrazol-3-yl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine
CID 124958407
1-(azepan-1-yl)-2-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]ethanone
CID 155985048
1-(4-methylpiperidin-1-yl)-2-[2-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]ethanone
CID 127249718
4-[6-[(2R)-4-[2-(diethylamino)-2-oxoethyl]morpholin-2-yl]-2-pyridinyl]benzamide
CID 125019777
[2-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 110093050
4,5-dimethyl-N-(6-morpholin-2-yl-2-pyridinyl)-1,3-thiazol-2-amine
CID 110093236
2-[4-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 110093792

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[(2S)-2-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]-N,N-diethylacetamide (CID 124947455) is 2-[(2S)-2-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[(2S)-2-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[(2S)-2-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]-N,N-diethylacetamide is CCN(CC)C(=O)CN1CCO[C@H](c2cccc(Nc3nc(C)c(C)s3)n2)C1.
What is the InChIKey of 2-[(2S)-2-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]-N,N-diethylacetamide?
The InChIKey is CFVQOOTYIJVNGB-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H29N5O2S/c1-5-25(6-2)19(26)13-24-10-11-27-17(12-24)16-8-7-9-18(22-16)23-20-21-14(3)15(4)28-20/h7-9,17H,5-6,10-13H2,1-4H3,(H,21,22,23)/t17-/m0/s1.
What are the key properties of 2-[(2S)-2-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]-N,N-diethylacetamide?
2-[(2S)-2-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]-N,N-diethylacetamide has a molecular weight of 403.55 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]-N,N-diethylacetamide is sourced from PubChem (CID 124947455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).