1-morpholin-4-ylpropan-2-yl 1,3-thiazole-4-carboxylate

C11H16N2O3S — CID 84600439

IUPAC1-morpholin-4-ylpropan-2-yl 1,3-thiazole-4-carboxylate
SMILESCC(CN1CCOCC1)OC(=O)c1cscn1
InChIInChI=1S/C11H16N2O3S/c1-9(6-13-2-4-15-5-3-13)16-11(14)10-7-17-8-12-10/h7-9H,2-6H2,1H3
InChIKeyKGDCXZHXNCFVHG-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.02
Rot. Bonds4

About 1-morpholin-4-ylpropan-2-yl 1,3-thiazole-4-carboxylate

1-morpholin-4-ylpropan-2-yl 1,3-thiazole-4-carboxylate (PubChem CID 84600439) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 1-morpholin-4-ylpropan-2-yl 1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name1-morpholin-4-ylpropan-2-yl 1,3-thiazole-4-carboxylate
PubChem CID84600439
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name1-morpholin-4-ylpropan-2-yl 1,3-thiazole-4-carboxylate
SMILESCC(CN1CCOCC1)OC(=O)c1cscn1
InChIInChI=1S/C11H16N2O3S/c1-9(6-13-2-4-15-5-3-13)16-11(14)10-7-17-8-12-10/h7-9H,2-6H2,1H3
InChIKeyKGDCXZHXNCFVHG-UHFFFAOYSA-N
XLogP1.02
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-morpholin-4-ylpropan-2-yl 2-methylbenzoate chloride
CID 53347672
[(2R)-1-morpholin-4-ylpropan-2-yl] 4-fluorobenzoate
CID 844363
[(2R)-1-morpholin-4-ylpropan-2-yl] 3,4,5-trimethoxybenzoate
CID 844388
1-morpholin-4-ylpropan-2-yl 4-tert-butylbenzoate
CID 3151287
1-morpholin-4-ylpropan-2-yl 2-chlorobenzoate;hydrochloride
CID 2913162
[(2S)-1-morpholin-4-ylpropan-2-yl] 2-fluorobenzoate
CID 844339
1-morpholin-4-ylpropan-2-yl 4-methoxybenzoate chloride
CID 53352536
1-morpholin-4-ylpropan-2-yl 3,4-dimethoxybenzoate chloride
CID 53312685
1-morpholin-4-ylpropan-2-yl 3-ethyl-1-methylpyrazole-4-carboxylate
CID 75520681
1-morpholin-4-ylpropan-2-yl 5-bromofuran-3-carboxylate
CID 84600441
1-morpholin-4-ylpropan-2-yl 2,4-dimethylbenzoate
CID 75399143
[(2S)-1-morpholin-4-ylpropan-2-yl] 1-tert-butyl-5-methylpyrazole-4-carboxylate
CID 97351237

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-ylpropan-2-yl 1,3-thiazole-4-carboxylate?
The IUPAC name of 1-morpholin-4-ylpropan-2-yl 1,3-thiazole-4-carboxylate (CID 84600439) is 1-morpholin-4-ylpropan-2-yl 1,3-thiazole-4-carboxylate.
What is the SMILES notation for 1-morpholin-4-ylpropan-2-yl 1,3-thiazole-4-carboxylate?
The canonical SMILES for 1-morpholin-4-ylpropan-2-yl 1,3-thiazole-4-carboxylate is CC(CN1CCOCC1)OC(=O)c1cscn1.
What is the InChIKey of 1-morpholin-4-ylpropan-2-yl 1,3-thiazole-4-carboxylate?
The InChIKey is KGDCXZHXNCFVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-9(6-13-2-4-15-5-3-13)16-11(14)10-7-17-8-12-10/h7-9H,2-6H2,1H3.
What are the key properties of 1-morpholin-4-ylpropan-2-yl 1,3-thiazole-4-carboxylate?
1-morpholin-4-ylpropan-2-yl 1,3-thiazole-4-carboxylate has a molecular weight of 256.33 g/mol, XLogP of 1.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-ylpropan-2-yl 1,3-thiazole-4-carboxylate is sourced from PubChem (CID 84600439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).