[2-(4-methylanilino)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone

C20H20N2O4S — CID 53364341

IUPAC[2-(4-methylanilino)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2csc(Nc3ccc(C)cc3)n2)cc(OC)c1OC
InChIInChI=1S/C20H20N2O4S/c1-12-5-7-14(8-6-12)21-20-22-15(11-27-20)18(23)13-9-16(24-2)19(26-4)17(10-13)25-3/h5-11H,1-4H3,(H,21,22)
InChIKeyRFUBLMVNPXRJPA-UHFFFAOYSA-N
MW384.46 g/mol
LogP4.45
Rot. Bonds7

About [2-(4-methylanilino)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone

[2-(4-methylanilino)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 53364341) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is [2-(4-methylanilino)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(4-methylanilino)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID53364341
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC Name[2-(4-methylanilino)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2csc(Nc3ccc(C)cc3)n2)cc(OC)c1OC
InChIInChI=1S/C20H20N2O4S/c1-12-5-7-14(8-6-12)21-20-22-15(11-27-20)18(23)13-9-16(24-2)19(26-4)17(10-13)25-3/h5-11H,1-4H3,(H,21,22)
InChIKeyRFUBLMVNPXRJPA-UHFFFAOYSA-N
XLogP4.45
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(4-Amino-2-anilino-1,3-thiazol-5-yl)(3,4-dimethoxyphenyl)methanone
CID 1512279
Ethyl 2-(3,4,5-trimethoxybenzamido)thiazole-4-carboxylate
CID 1359240
(4-Amino-2-((4-methoxyphenyl)amino)thiazol-5-yl)(3,4-dimethoxyphenyl)methanone
CID 1512282
(4-Amino-2-anilino-1,3-thiazol-5-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 20590560
4-(3,4,5-Trimethoxybenzoyl)-2-phenylthiazole
CID 25227430
Smart-F
CID 25227431
[2-(4-Ethylphenyl)-4-thiazolyl](3,4,5-trimethoxyphenyl)methanone
CID 25257690
[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 [2-(4-methylanilino)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [2-(4-methylanilino)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 53364341) is [2-(4-methylanilino)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [2-(4-methylanilino)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [2-(4-methylanilino)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2csc(Nc3ccc(C)cc3)n2)cc(OC)c1OC.
What is the InChIKey of [2-(4-methylanilino)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is RFUBLMVNPXRJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S/c1-12-5-7-14(8-6-12)21-20-22-15(11-27-20)18(23)13-9-16(24-2)19(26-4)17(10-13)25-3/h5-11H,1-4H3,(H,21,22).
What are the key properties of [2-(4-methylanilino)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
[2-(4-methylanilino)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 384.46 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylanilino)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 53364341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).