3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-(2-methylmorpholin-4-yl)propan-1-one

C18H22N2O3S — CID 110631367

IUPAC3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-(2-methylmorpholin-4-yl)propan-1-one
SMILESCOc1ccc(-c2csc(CCC(=O)N3CCOC(C)C3)n2)cc1
InChIInChI=1S/C18H22N2O3S/c1-13-11-20(9-10-23-13)18(21)8-7-17-19-16(12-24-17)14-3-5-15(22-2)6-4-14/h3-6,12-13H,7-11H2,1-2H3
InChIKeyRTNTZFDAFRJUMK-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.00
Rot. Bonds5

About 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-(2-methylmorpholin-4-yl)propan-1-one

3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-(2-methylmorpholin-4-yl)propan-1-one (PubChem CID 110631367) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-(2-methylmorpholin-4-yl)propan-1-one.

Molecular Properties

Compound Name3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-(2-methylmorpholin-4-yl)propan-1-one
PubChem CID110631367
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-(2-methylmorpholin-4-yl)propan-1-one
SMILESCOc1ccc(-c2csc(CCC(=O)N3CCOC(C)C3)n2)cc1
InChIInChI=1S/C18H22N2O3S/c1-13-11-20(9-10-23-13)18(21)8-7-17-19-16(12-24-17)14-3-5-15(22-2)6-4-14/h3-6,12-13H,7-11H2,1-2H3
InChIKeyRTNTZFDAFRJUMK-UHFFFAOYSA-N
XLogP3.00
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-morpholin-4-yl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-1-one
CID 110647606
1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-3-(4-phenyl-1,3-thiazol-2-yl)propan-1-one
CID 110629136
1-(2-methylmorpholin-4-yl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propan-1-one
CID 110631362
3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(2-methyl-2-pyrrolidin-1-ylpropyl)propanamide
CID 110622556
2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone
CID 16644546
N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]oxolane-2-carboxamide
CID 52985500
7-methoxy-4-methyl-3-[3-(2-methylmorpholin-4-yl)-3-oxopropyl]chromen-2-one
CID 51296291
1-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanoyl]piperidine-4-carboxamide
CID 110675566
1-(3-methylpiperidin-1-yl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propan-1-one
CID 110649386
1-(2-methylmorpholin-4-yl)-4-thiophen-2-ylbutan-1-one
CID 47016281
2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethylazanium
CID 7241954
[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-(2-methylmorpholin-4-yl)methanone
CID 24672373

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-(2-methylmorpholin-4-yl)propan-1-one?
The IUPAC name of 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-(2-methylmorpholin-4-yl)propan-1-one (CID 110631367) is 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-(2-methylmorpholin-4-yl)propan-1-one.
What is the SMILES notation for 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-(2-methylmorpholin-4-yl)propan-1-one?
The canonical SMILES for 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-(2-methylmorpholin-4-yl)propan-1-one is COc1ccc(-c2csc(CCC(=O)N3CCOC(C)C3)n2)cc1.
What is the InChIKey of 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-(2-methylmorpholin-4-yl)propan-1-one?
The InChIKey is RTNTZFDAFRJUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-13-11-20(9-10-23-13)18(21)8-7-17-19-16(12-24-17)14-3-5-15(22-2)6-4-14/h3-6,12-13H,7-11H2,1-2H3.
What are the key properties of 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-(2-methylmorpholin-4-yl)propan-1-one?
3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-(2-methylmorpholin-4-yl)propan-1-one has a molecular weight of 346.45 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-(2-methylmorpholin-4-yl)propan-1-one is sourced from PubChem (CID 110631367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).