propan-2-yl 2-[4-[(3-methylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]acetate

C14H22N2O3S — CID 47079193

IUPACpropan-2-yl 2-[4-[(3-methylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]acetate
SMILESCC(C)OC(=O)Cc1nc(CN2CCOCC2C)cs1
InChIInChI=1S/C14H22N2O3S/c1-10(2)19-14(17)6-13-15-12(9-20-13)7-16-4-5-18-8-11(16)3/h9-11H,4-8H2,1-3H3
InChIKeyPKPBBYRZPQDUIW-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.86
Rot. Bonds5

About propan-2-yl 2-[4-[(3-methylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]acetate

propan-2-yl 2-[4-[(3-methylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]acetate (PubChem CID 47079193) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is propan-2-yl 2-[4-[(3-methylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[4-[(3-methylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]acetate
PubChem CID47079193
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Namepropan-2-yl 2-[4-[(3-methylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]acetate
SMILESCC(C)OC(=O)Cc1nc(CN2CCOCC2C)cs1
InChIInChI=1S/C14H22N2O3S/c1-10(2)19-14(17)6-13-15-12(9-20-13)7-16-4-5-18-8-11(16)3/h9-11H,4-8H2,1-3H3
InChIKeyPKPBBYRZPQDUIW-UHFFFAOYSA-N
XLogP1.86
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[4-[(3-methylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]acetate?
The IUPAC name of propan-2-yl 2-[4-[(3-methylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]acetate (CID 47079193) is propan-2-yl 2-[4-[(3-methylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]acetate.
What is the SMILES notation for propan-2-yl 2-[4-[(3-methylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]acetate?
The canonical SMILES for propan-2-yl 2-[4-[(3-methylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]acetate is CC(C)OC(=O)Cc1nc(CN2CCOCC2C)cs1.
What is the InChIKey of propan-2-yl 2-[4-[(3-methylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]acetate?
The InChIKey is PKPBBYRZPQDUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-10(2)19-14(17)6-13-15-12(9-20-13)7-16-4-5-18-8-11(16)3/h9-11H,4-8H2,1-3H3.
What are the key properties of propan-2-yl 2-[4-[(3-methylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]acetate?
propan-2-yl 2-[4-[(3-methylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]acetate has a molecular weight of 298.41 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[4-[(3-methylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]acetate is sourced from PubChem (CID 47079193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).