1-morpholin-4-yl-2-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]ethanone

C18H22N2O2S — CID 9422033

IUPAC1-morpholin-4-yl-2-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]ethanone
SMILESCc1cc(C)c(-c2csc(CC(=O)N3CCOCC3)n2)cc1C
InChIInChI=1S/C18H22N2O2S/c1-12-8-14(3)15(9-13(12)2)16-11-23-17(19-16)10-18(21)20-4-6-22-7-5-20/h8-9,11H,4-7,10H2,1-3H3
InChIKeyGXJGWDVSFNVQHV-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.14
Rot. Bonds3

About 1-morpholin-4-yl-2-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]ethanone

1-morpholin-4-yl-2-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]ethanone (PubChem CID 9422033) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]ethanone
PubChem CID9422033
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name1-morpholin-4-yl-2-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]ethanone
SMILESCc1cc(C)c(-c2csc(CC(=O)N3CCOCC3)n2)cc1C
InChIInChI=1S/C18H22N2O2S/c1-12-8-14(3)15(9-13(12)2)16-11-23-17(19-16)10-18(21)20-4-6-22-7-5-20/h8-9,11H,4-7,10H2,1-3H3
InChIKeyGXJGWDVSFNVQHV-UHFFFAOYSA-N
XLogP3.14
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-1,3-thiazol-2-yl]-1-morpholin-4-ylethanone
CID 17418164
2-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazole-4-carboxylic acid
CID 82154968
2-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-1-morpholin-4-ylethanone
CID 17445145
3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 115633696
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 3623257
1-morpholin-4-yl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-1-one
CID 110647606
2-(3-methylquinoxalin-2-yl)-1-morpholin-4-ylethanone
CID 3667314
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1-morpholin-4-ylethanone
CID 82547942
2-(4,5-dimethoxy-2-methylphenyl)-1-morpholin-4-ylethanone
CID 110770037
2-(5-methyl-1,3-benzoxazol-2-yl)-1-morpholin-4-ylethanone
CID 54431192
3-[2-(2-morpholin-4-yl-2-sulfanylideneethyl)-1,3-thiazol-4-yl]chromen-2-one
CID 8005733
2-(4-methoxy-2,5-dimethylphenyl)-1-morpholin-4-ylethanone
CID 110767973

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]ethanone?
The IUPAC name of 1-morpholin-4-yl-2-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]ethanone (CID 9422033) is 1-morpholin-4-yl-2-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]ethanone is Cc1cc(C)c(-c2csc(CC(=O)N3CCOCC3)n2)cc1C.
What is the InChIKey of 1-morpholin-4-yl-2-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]ethanone?
The InChIKey is GXJGWDVSFNVQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-12-8-14(3)15(9-13(12)2)16-11-23-17(19-16)10-18(21)20-4-6-22-7-5-20/h8-9,11H,4-7,10H2,1-3H3.
What are the key properties of 1-morpholin-4-yl-2-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]ethanone?
1-morpholin-4-yl-2-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]ethanone has a molecular weight of 330.45 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]ethanone is sourced from PubChem (CID 9422033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).