morpholin-4-yl-[2-(phenoxymethyl)-1,3-thiazol-4-yl]methanone

C15H16N2O3S — CID 24712645

IUPACmorpholin-4-yl-[2-(phenoxymethyl)-1,3-thiazol-4-yl]methanone
SMILESO=C(c1csc(COc2ccccc2)n1)N1CCOCC1
InChIInChI=1S/C15H16N2O3S/c18-15(17-6-8-19-9-7-17)13-11-21-14(16-13)10-20-12-4-2-1-3-5-12/h1-5,11H,6-10H2
InChIKeyGKMMEPLRVVFTCK-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.19
Rot. Bonds4

About morpholin-4-yl-[2-(phenoxymethyl)-1,3-thiazol-4-yl]methanone

morpholin-4-yl-[2-(phenoxymethyl)-1,3-thiazol-4-yl]methanone (PubChem CID 24712645) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is morpholin-4-yl-[2-(phenoxymethyl)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[2-(phenoxymethyl)-1,3-thiazol-4-yl]methanone
PubChem CID24712645
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Namemorpholin-4-yl-[2-(phenoxymethyl)-1,3-thiazol-4-yl]methanone
SMILESO=C(c1csc(COc2ccccc2)n1)N1CCOCC1
InChIInChI=1S/C15H16N2O3S/c18-15(17-6-8-19-9-7-17)13-11-21-14(16-13)10-20-12-4-2-1-3-5-12/h1-5,11H,6-10H2
InChIKeyGKMMEPLRVVFTCK-UHFFFAOYSA-N
XLogP2.19
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
CID 42835488
[2-(aminomethyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
CID 66376431
1-[2-(phenoxymethyl)-1,3-thiazol-4-yl]ethanone
CID 2744803
[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 24712422
[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-(2-methylmorpholin-4-yl)methanone
CID 24672373
3-methyl-1-[7-[[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]methoxy]-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]butan-1-one
CID 46058082
[4-[2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 18115159
(4-benzyl-1,4-diazepan-1-yl)-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methanone
CID 18157563
[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 24672462
[(2R)-2-methylpiperazin-1-yl]-[2-(phenoxymethyl)-1,3-thiazol-4-yl]methanone
CID 166261382
2-[(3-hydroxyphenoxy)methyl]-1,3-thiazole-4-carboxylic acid
CID 117187072
(4-methoxypiperidin-1-yl)-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methanone
CID 56810579

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[2-(phenoxymethyl)-1,3-thiazol-4-yl]methanone?
The IUPAC name of morpholin-4-yl-[2-(phenoxymethyl)-1,3-thiazol-4-yl]methanone (CID 24712645) is morpholin-4-yl-[2-(phenoxymethyl)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[2-(phenoxymethyl)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for morpholin-4-yl-[2-(phenoxymethyl)-1,3-thiazol-4-yl]methanone is O=C(c1csc(COc2ccccc2)n1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[2-(phenoxymethyl)-1,3-thiazol-4-yl]methanone?
The InChIKey is GKMMEPLRVVFTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c18-15(17-6-8-19-9-7-17)13-11-21-14(16-13)10-20-12-4-2-1-3-5-12/h1-5,11H,6-10H2.
What are the key properties of morpholin-4-yl-[2-(phenoxymethyl)-1,3-thiazol-4-yl]methanone?
morpholin-4-yl-[2-(phenoxymethyl)-1,3-thiazol-4-yl]methanone has a molecular weight of 304.37 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[2-(phenoxymethyl)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 24712645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).