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

C16H18N2O2S — CID 21135766

IUPAC1-[4-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2csc(CN3CCOCC3)n2)cc1
InChIInChI=1S/C16H18N2O2S/c1-12(19)13-2-4-14(5-3-13)15-11-21-16(17-15)10-18-6-8-20-9-7-18/h2-5,11H,6-10H2,1H3
InChIKeyXDXSPEVGFHOGJC-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.84
Rot. Bonds4

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

1-[4-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]phenyl]ethanone (PubChem CID 21135766) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 1-[4-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]phenyl]ethanone
PubChem CID21135766
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name1-[4-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2csc(CN3CCOCC3)n2)cc1
InChIInChI=1S/C16H18N2O2S/c1-12(19)13-2-4-14(5-3-13)15-11-21-16(17-15)10-18-6-8-20-9-7-18/h2-5,11H,6-10H2,1H3
InChIKeyXDXSPEVGFHOGJC-UHFFFAOYSA-N
XLogP2.84
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]phenyl]ethanone (CID 21135766) is 1-[4-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]phenyl]ethanone is CC(=O)c1ccc(-c2csc(CN3CCOCC3)n2)cc1.
What is the InChIKey of 1-[4-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]phenyl]ethanone?
The InChIKey is XDXSPEVGFHOGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-12(19)13-2-4-14(5-3-13)15-11-21-16(17-15)10-18-6-8-20-9-7-18/h2-5,11H,6-10H2,1H3.
What are the key properties of 1-[4-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]phenyl]ethanone?
1-[4-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]phenyl]ethanone has a molecular weight of 302.40 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]phenyl]ethanone is sourced from PubChem (CID 21135766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).