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

C17H22N4O2S — CID 125016718

IUPAC1-[(2S)-2-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]propan-1-one
SMILESCCC(=O)N1CCO[C@H](c2cccc(Nc3nc(C)c(C)s3)n2)C1
InChIInChI=1S/C17H22N4O2S/c1-4-16(22)21-8-9-23-14(10-21)13-6-5-7-15(19-13)20-17-18-11(2)12(3)24-17/h5-7,14H,4,8-10H2,1-3H3,(H,18,19,20)/t14-/m0/s1
InChIKeyXCFQMJMPRSDPEI-AWEZNQCLSA-N
MW346.46 g/mol
LogP3.21
Rot. Bonds4

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

1-[(2S)-2-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]propan-1-one (PubChem CID 125016718) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is 1-[(2S)-2-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name1-[(2S)-2-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]propan-1-one
PubChem CID125016718
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name1-[(2S)-2-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]propan-1-one
SMILESCCC(=O)N1CCO[C@H](c2cccc(Nc3nc(C)c(C)s3)n2)C1
InChIInChI=1S/C17H22N4O2S/c1-4-16(22)21-8-9-23-14(10-21)13-6-5-7-15(19-13)20-17-18-11(2)12(3)24-17/h5-7,14H,4,8-10H2,1-3H3,(H,18,19,20)/t14-/m0/s1
InChIKeyXCFQMJMPRSDPEI-AWEZNQCLSA-N
XLogP3.21
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(2S)-2-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]propan-1-one with MolForge

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Related Compounds

2-[(2S)-2-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]-N,N-diethylacetamide
CID 124947455
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
[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-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine
CID 110093061
4,5-dimethyl-N-[6-[(2R)-4-[(2-methylpyrazol-3-yl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine
CID 124958407
3-(4-methoxyphenyl)-1-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 155984918
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
(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
4,5-dimethyl-N-(6-morpholin-2-yl-2-pyridinyl)-1,3-thiazol-2-amine
CID 110093236
cyclopentyl-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]methanone
CID 155984921
3-(benzimidazol-1-yl)-1-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 155984931

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]propan-1-one?
The IUPAC name of 1-[(2S)-2-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]propan-1-one (CID 125016718) is 1-[(2S)-2-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]propan-1-one.
What is the SMILES notation for 1-[(2S)-2-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]propan-1-one?
The canonical SMILES for 1-[(2S)-2-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]propan-1-one is CCC(=O)N1CCO[C@H](c2cccc(Nc3nc(C)c(C)s3)n2)C1.
What is the InChIKey of 1-[(2S)-2-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]propan-1-one?
The InChIKey is XCFQMJMPRSDPEI-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-4-16(22)21-8-9-23-14(10-21)13-6-5-7-15(19-13)20-17-18-11(2)12(3)24-17/h5-7,14H,4,8-10H2,1-3H3,(H,18,19,20)/t14-/m0/s1.
What are the key properties of 1-[(2S)-2-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]propan-1-one?
1-[(2S)-2-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]propan-1-one has a molecular weight of 346.46 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]propan-1-one is sourced from PubChem (CID 125016718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).