[3,5-dimethoxy-4-(methoxymethoxy)phenyl]-(2-phenyl-1,3-thiazol-4-yl)methanone

C20H19NO5S — CID 118499017

IUPAC[3,5-dimethoxy-4-(methoxymethoxy)phenyl]-(2-phenyl-1,3-thiazol-4-yl)methanone
SMILESCOCOc1c(OC)cc(C(=O)c2csc(-c3ccccc3)n2)cc1OC
InChIInChI=1S/C20H19NO5S/c1-23-12-26-19-16(24-2)9-14(10-17(19)25-3)18(22)15-11-27-20(21-15)13-7-5-4-6-8-13/h4-11H,12H2,1-3H3
InChIKeyMVLISLUPDFWEBP-UHFFFAOYSA-N
MW385.44 g/mol
LogP4.04
Rot. Bonds8

About [3,5-dimethoxy-4-(methoxymethoxy)phenyl]-(2-phenyl-1,3-thiazol-4-yl)methanone

[3,5-dimethoxy-4-(methoxymethoxy)phenyl]-(2-phenyl-1,3-thiazol-4-yl)methanone (PubChem CID 118499017) has the molecular formula C20H19NO5S and a molecular weight of 385.44 g/mol. Its IUPAC name is [3,5-dimethoxy-4-(methoxymethoxy)phenyl]-(2-phenyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[3,5-dimethoxy-4-(methoxymethoxy)phenyl]-(2-phenyl-1,3-thiazol-4-yl)methanone
PubChem CID118499017
Molecular FormulaC20H19NO5S
Molecular Weight385.44 g/mol
Exact Mass385.10
IUPAC Name[3,5-dimethoxy-4-(methoxymethoxy)phenyl]-(2-phenyl-1,3-thiazol-4-yl)methanone
SMILESCOCOc1c(OC)cc(C(=O)c2csc(-c3ccccc3)n2)cc1OC
InChIInChI=1S/C20H19NO5S/c1-23-12-26-19-16(24-2)9-14(10-17(19)25-3)18(22)15-11-27-20(21-15)13-7-5-4-6-8-13/h4-11H,12H2,1-3H3
InChIKeyMVLISLUPDFWEBP-UHFFFAOYSA-N
XLogP4.04
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[3-Acetyloxy-5-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]phenyl] acetate
CID 11744022
4-(3,4,5-Trimethoxybenzoyl)-2-phenylthiazole
CID 25227430
Smart-F
CID 25227431
[2-(4-Bromophenyl)-4-thiazolyl](3,4,5-trimethoxyphenyl)methanone
CID 25257458
[2-(4-Ethylphenyl)-4-thiazolyl](3,4,5-trimethoxyphenyl)methanone
CID 25257690
[2-(2-Thienyl)-4-thiazolyl](3,4,5-trimethoxyphenyl)methanone
CID 25257692
(3,5-Dimethoxyphenyl)(2-phenyl-4-thiazolyl)methanone
CID 25258606
[2-(4-Methylphenyl)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 25258609
[2-(2-Fluorophenyl)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 25258610
[2-(3-Fluorophenyl)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 25258829
[2-(3,4-Dimethoxyphenyl)-4-thiazolyl](3,4,5-trimethoxyphenyl)methanone
CID 25258830
[2-(4-Nitrophenyl)-4-thiazolyl](3,4,5-trimethoxyphenyl)methanone
CID 25258831

Frequently Asked Questions

What is the IUPAC name of [3,5-dimethoxy-4-(methoxymethoxy)phenyl]-(2-phenyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [3,5-dimethoxy-4-(methoxymethoxy)phenyl]-(2-phenyl-1,3-thiazol-4-yl)methanone (CID 118499017) is [3,5-dimethoxy-4-(methoxymethoxy)phenyl]-(2-phenyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [3,5-dimethoxy-4-(methoxymethoxy)phenyl]-(2-phenyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [3,5-dimethoxy-4-(methoxymethoxy)phenyl]-(2-phenyl-1,3-thiazol-4-yl)methanone is COCOc1c(OC)cc(C(=O)c2csc(-c3ccccc3)n2)cc1OC.
What is the InChIKey of [3,5-dimethoxy-4-(methoxymethoxy)phenyl]-(2-phenyl-1,3-thiazol-4-yl)methanone?
The InChIKey is MVLISLUPDFWEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5S/c1-23-12-26-19-16(24-2)9-14(10-17(19)25-3)18(22)15-11-27-20(21-15)13-7-5-4-6-8-13/h4-11H,12H2,1-3H3.
What are the key properties of [3,5-dimethoxy-4-(methoxymethoxy)phenyl]-(2-phenyl-1,3-thiazol-4-yl)methanone?
[3,5-dimethoxy-4-(methoxymethoxy)phenyl]-(2-phenyl-1,3-thiazol-4-yl)methanone has a molecular weight of 385.44 g/mol, XLogP of 4.04, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dimethoxy-4-(methoxymethoxy)phenyl]-(2-phenyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 118499017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).