1-phenyl-2-[4-(1,3-thiazol-2-ylmethyl)morpholin-3-yl]ethanone

C16H18N2O2S — CID 86796786

IUPAC1-phenyl-2-[4-(1,3-thiazol-2-ylmethyl)morpholin-3-yl]ethanone
SMILESO=C(CC1COCCN1Cc1nccs1)c1ccccc1
InChIInChI=1S/C16H18N2O2S/c19-15(13-4-2-1-3-5-13)10-14-12-20-8-7-18(14)11-16-17-6-9-21-16/h1-6,9,14H,7-8,10-12H2
InChIKeyACRNDLXZVDSKFW-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.62
Rot. Bonds5

About 1-phenyl-2-[4-(1,3-thiazol-2-ylmethyl)morpholin-3-yl]ethanone

1-phenyl-2-[4-(1,3-thiazol-2-ylmethyl)morpholin-3-yl]ethanone (PubChem CID 86796786) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 1-phenyl-2-[4-(1,3-thiazol-2-ylmethyl)morpholin-3-yl]ethanone.

Molecular Properties

Compound Name1-phenyl-2-[4-(1,3-thiazol-2-ylmethyl)morpholin-3-yl]ethanone
PubChem CID86796786
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name1-phenyl-2-[4-(1,3-thiazol-2-ylmethyl)morpholin-3-yl]ethanone
SMILESO=C(CC1COCCN1Cc1nccs1)c1ccccc1
InChIInChI=1S/C16H18N2O2S/c19-15(13-4-2-1-3-5-13)10-14-12-20-8-7-18(14)11-16-17-6-9-21-16/h1-6,9,14H,7-8,10-12H2
InChIKeyACRNDLXZVDSKFW-UHFFFAOYSA-N
XLogP2.62
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[4-(1,3-thiazol-2-ylmethyl)morpholin-3-yl]ethanone?
The IUPAC name of 1-phenyl-2-[4-(1,3-thiazol-2-ylmethyl)morpholin-3-yl]ethanone (CID 86796786) is 1-phenyl-2-[4-(1,3-thiazol-2-ylmethyl)morpholin-3-yl]ethanone.
What is the SMILES notation for 1-phenyl-2-[4-(1,3-thiazol-2-ylmethyl)morpholin-3-yl]ethanone?
The canonical SMILES for 1-phenyl-2-[4-(1,3-thiazol-2-ylmethyl)morpholin-3-yl]ethanone is O=C(CC1COCCN1Cc1nccs1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-[4-(1,3-thiazol-2-ylmethyl)morpholin-3-yl]ethanone?
The InChIKey is ACRNDLXZVDSKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c19-15(13-4-2-1-3-5-13)10-14-12-20-8-7-18(14)11-16-17-6-9-21-16/h1-6,9,14H,7-8,10-12H2.
What are the key properties of 1-phenyl-2-[4-(1,3-thiazol-2-ylmethyl)morpholin-3-yl]ethanone?
1-phenyl-2-[4-(1,3-thiazol-2-ylmethyl)morpholin-3-yl]ethanone has a molecular weight of 302.40 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[4-(1,3-thiazol-2-ylmethyl)morpholin-3-yl]ethanone is sourced from PubChem (CID 86796786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).