methyl 2-[4-(4-phenyl-1,3-thiazol-2-yl)morpholin-2-yl]acetate

C16H18N2O3S — CID 154750161

IUPACmethyl 2-[4-(4-phenyl-1,3-thiazol-2-yl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(c2nc(-c3ccccc3)cs2)CCO1
InChIInChI=1S/C16H18N2O3S/c1-20-15(19)9-13-10-18(7-8-21-13)16-17-14(11-22-16)12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3
InChIKeyTURQZLJLWBTXIW-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.58
Rot. Bonds4

About methyl 2-[4-(4-phenyl-1,3-thiazol-2-yl)morpholin-2-yl]acetate

methyl 2-[4-(4-phenyl-1,3-thiazol-2-yl)morpholin-2-yl]acetate (PubChem CID 154750161) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is methyl 2-[4-(4-phenyl-1,3-thiazol-2-yl)morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(4-phenyl-1,3-thiazol-2-yl)morpholin-2-yl]acetate
PubChem CID154750161
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Namemethyl 2-[4-(4-phenyl-1,3-thiazol-2-yl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(c2nc(-c3ccccc3)cs2)CCO1
InChIInChI=1S/C16H18N2O3S/c1-20-15(19)9-13-10-18(7-8-21-13)16-17-14(11-22-16)12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3
InChIKeyTURQZLJLWBTXIW-UHFFFAOYSA-N
XLogP2.58
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(4-phenyl-1,3-thiazol-2-yl)morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-(4-phenyl-1,3-thiazol-2-yl)morpholin-2-yl]acetate (CID 154750161) is methyl 2-[4-(4-phenyl-1,3-thiazol-2-yl)morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-(4-phenyl-1,3-thiazol-2-yl)morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-(4-phenyl-1,3-thiazol-2-yl)morpholin-2-yl]acetate is COC(=O)CC1CN(c2nc(-c3ccccc3)cs2)CCO1.
What is the InChIKey of methyl 2-[4-(4-phenyl-1,3-thiazol-2-yl)morpholin-2-yl]acetate?
The InChIKey is TURQZLJLWBTXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-20-15(19)9-13-10-18(7-8-21-13)16-17-14(11-22-16)12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3.
What are the key properties of methyl 2-[4-(4-phenyl-1,3-thiazol-2-yl)morpholin-2-yl]acetate?
methyl 2-[4-(4-phenyl-1,3-thiazol-2-yl)morpholin-2-yl]acetate has a molecular weight of 318.40 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(4-phenyl-1,3-thiazol-2-yl)morpholin-2-yl]acetate is sourced from PubChem (CID 154750161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).