1-[2-(4,5-dimethoxy-2-methylphenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one

C21H21NO4S — CID 58541326

IUPAC1-[2-(4,5-dimethoxy-2-methylphenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one
SMILESCOc1cc(C)c(Oc2ccccc2CC(=O)Cc2nccs2)cc1OC
InChIInChI=1S/C21H21NO4S/c1-14-10-19(24-2)20(25-3)13-18(14)26-17-7-5-4-6-15(17)11-16(23)12-21-22-8-9-27-21/h4-10,13H,11-12H2,1-3H3
InChIKeyGHCNEHDMBCBKQZ-UHFFFAOYSA-N
MW383.47 g/mol
LogP4.62
Rot. Bonds8

About 1-[2-(4,5-dimethoxy-2-methylphenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one

1-[2-(4,5-dimethoxy-2-methylphenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one (PubChem CID 58541326) has the molecular formula C21H21NO4S and a molecular weight of 383.47 g/mol. Its IUPAC name is 1-[2-(4,5-dimethoxy-2-methylphenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one.

Molecular Properties

Compound Name1-[2-(4,5-dimethoxy-2-methylphenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one
PubChem CID58541326
Molecular FormulaC21H21NO4S
Molecular Weight383.47 g/mol
Exact Mass383.12
IUPAC Name1-[2-(4,5-dimethoxy-2-methylphenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one
SMILESCOc1cc(C)c(Oc2ccccc2CC(=O)Cc2nccs2)cc1OC
InChIInChI=1S/C21H21NO4S/c1-14-10-19(24-2)20(25-3)13-18(14)26-17-7-5-4-6-15(17)11-16(23)12-21-22-8-9-27-21/h4-10,13H,11-12H2,1-3H3
InChIKeyGHCNEHDMBCBKQZ-UHFFFAOYSA-N
XLogP4.62
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(3,4-difluorophenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one
CID 58541250
1-(2-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 62797036
ethyl 2-[3-[2-(2,3-dimethoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazole-4-carboxylate
CID 58541231
1-(2-methoxy-5-methylphenyl)-2-(1,3-thiazol-2-yl)ethanone
CID 115786541
methyl 2-[2-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]sulfanylbenzoate
CID 58541557
1-[4-methyl-2-(3-methylbut-2-enoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one
CID 58541142
1-(2-benzoylphenyl)-3-(1,3-thiazol-2-yl)propan-2-one
CID 58541459
4-methoxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-one
CID 103023379
2-methoxy-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 110443918
2-methoxy-N,6-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 131946527
2-[2-[(3-methyl-2-pyridinyl)oxy]phenyl]acetic acid
CID 80741818
1-(4-bromothiophen-2-yl)-3-(2-methoxyphenyl)propan-2-one
CID 62620804

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,5-dimethoxy-2-methylphenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one?
The IUPAC name of 1-[2-(4,5-dimethoxy-2-methylphenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one (CID 58541326) is 1-[2-(4,5-dimethoxy-2-methylphenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one.
What is the SMILES notation for 1-[2-(4,5-dimethoxy-2-methylphenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one?
The canonical SMILES for 1-[2-(4,5-dimethoxy-2-methylphenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one is COc1cc(C)c(Oc2ccccc2CC(=O)Cc2nccs2)cc1OC.
What is the InChIKey of 1-[2-(4,5-dimethoxy-2-methylphenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one?
The InChIKey is GHCNEHDMBCBKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4S/c1-14-10-19(24-2)20(25-3)13-18(14)26-17-7-5-4-6-15(17)11-16(23)12-21-22-8-9-27-21/h4-10,13H,11-12H2,1-3H3.
What are the key properties of 1-[2-(4,5-dimethoxy-2-methylphenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one?
1-[2-(4,5-dimethoxy-2-methylphenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one has a molecular weight of 383.47 g/mol, XLogP of 4.62, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,5-dimethoxy-2-methylphenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one is sourced from PubChem (CID 58541326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).