(2-anilino-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone

C19H18N2O4S — CID 53361717

IUPAC(2-anilino-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2csc(Nc3ccccc3)n2)cc(OC)c1OC
InChIInChI=1S/C19H18N2O4S/c1-23-15-9-12(10-16(24-2)18(15)25-3)17(22)14-11-26-19(21-14)20-13-7-5-4-6-8-13/h4-11H,1-3H3,(H,20,21)
InChIKeyUJLSUSCHHHKRGD-UHFFFAOYSA-N
MW370.43 g/mol
LogP4.14
Rot. Bonds7

About (2-anilino-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone

(2-anilino-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 53361717) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is (2-anilino-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(2-anilino-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID53361717
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC Name(2-anilino-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2csc(Nc3ccccc3)n2)cc(OC)c1OC
InChIInChI=1S/C19H18N2O4S/c1-23-15-9-12(10-16(24-2)18(15)25-3)17(22)14-11-26-19(21-14)20-13-7-5-4-6-8-13/h4-11H,1-3H3,(H,20,21)
InChIKeyUJLSUSCHHHKRGD-UHFFFAOYSA-N
XLogP4.14
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 54.14
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
(2-Anilino-4-methyl-1,3-thiazol-5-yl)-(4-methoxyphenyl)methanone
CID 2814831
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

Frequently Asked Questions

What is the IUPAC name of (2-anilino-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (2-anilino-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 53361717) is (2-anilino-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (2-anilino-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (2-anilino-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2csc(Nc3ccccc3)n2)cc(OC)c1OC.
What is the InChIKey of (2-anilino-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is UJLSUSCHHHKRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-23-15-9-12(10-16(24-2)18(15)25-3)17(22)14-11-26-19(21-14)20-13-7-5-4-6-8-13/h4-11H,1-3H3,(H,20,21).
What are the key properties of (2-anilino-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone?
(2-anilino-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 370.43 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 53361717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).