2-(4-methylpyrazol-1-yl)-1-[(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]ethanone

C13H16N4O2S — CID 164637825

IUPAC2-(4-methylpyrazol-1-yl)-1-[(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]ethanone
SMILESCc1cnn(CC(=O)N2CCO[C@H](c3nccs3)C2)c1
InChIInChI=1S/C13H16N4O2S/c1-10-6-15-17(7-10)9-12(18)16-3-4-19-11(8-16)13-14-2-5-20-13/h2,5-7,11H,3-4,8-9H2,1H3/t11-/m0/s1
InChIKeyUEZGGOJBBWKREA-NSHDSACASA-N
MW292.36 g/mol
LogP1.25
Rot. Bonds3

About 2-(4-methylpyrazol-1-yl)-1-[(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]ethanone

2-(4-methylpyrazol-1-yl)-1-[(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]ethanone (PubChem CID 164637825) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-(4-methylpyrazol-1-yl)-1-[(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(4-methylpyrazol-1-yl)-1-[(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]ethanone
PubChem CID164637825
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name2-(4-methylpyrazol-1-yl)-1-[(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]ethanone
SMILESCc1cnn(CC(=O)N2CCO[C@H](c3nccs3)C2)c1
InChIInChI=1S/C13H16N4O2S/c1-10-6-15-17(7-10)9-12(18)16-3-4-19-11(8-16)13-14-2-5-20-13/h2,5-7,11H,3-4,8-9H2,1H3/t11-/m0/s1
InChIKeyUEZGGOJBBWKREA-NSHDSACASA-N
XLogP1.25
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(4-methylpyrazol-1-yl)-1-[(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]ethanone with MolForge

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Related Compounds

4-[[4-(2-Methoxyethyl)piperazin-1-yl]methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole
CID 53534565
N,N-dimethyl-2-[4-[[2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 53557578
N-methyl-2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 53557640
N-methyl-2-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 53562929
2-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 53565859
2-[(4-Methylpyrazol-1-yl)methyl]-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine
CID 53574835
1-[3-(4-Methylpyrazol-1-yl)piperidin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one
CID 53575956
[2-(Methoxymethyl)-1,3-thiazol-4-yl]-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
CID 56779115
1-[4-[[2-(1-Methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanone
CID 56814491
(2-Ethylmorpholin-4-yl)-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone
CID 56814924
(2-Ethylmorpholin-4-yl)-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone
CID 72018050
4-[[4-(2-Ethoxyethyl)piperazin-1-yl]methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole
CID 72143899

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpyrazol-1-yl)-1-[(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]ethanone?
The IUPAC name of 2-(4-methylpyrazol-1-yl)-1-[(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]ethanone (CID 164637825) is 2-(4-methylpyrazol-1-yl)-1-[(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(4-methylpyrazol-1-yl)-1-[(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-(4-methylpyrazol-1-yl)-1-[(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]ethanone is Cc1cnn(CC(=O)N2CCO[C@H](c3nccs3)C2)c1.
What is the InChIKey of 2-(4-methylpyrazol-1-yl)-1-[(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]ethanone?
The InChIKey is UEZGGOJBBWKREA-NSHDSACASA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-10-6-15-17(7-10)9-12(18)16-3-4-19-11(8-16)13-14-2-5-20-13/h2,5-7,11H,3-4,8-9H2,1H3/t11-/m0/s1.
What are the key properties of 2-(4-methylpyrazol-1-yl)-1-[(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]ethanone?
2-(4-methylpyrazol-1-yl)-1-[(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]ethanone has a molecular weight of 292.36 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpyrazol-1-yl)-1-[(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]ethanone is sourced from PubChem (CID 164637825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).