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

C19H17FN2O4S — CID 53340984

IUPAC[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2csc(Nc3ccc(F)cc3)n2)cc(OC)c1OC
InChIInChI=1S/C19H17FN2O4S/c1-24-15-8-11(9-16(25-2)18(15)26-3)17(23)14-10-27-19(22-14)21-13-6-4-12(20)5-7-13/h4-10H,1-3H3,(H,21,22)
InChIKeyFJPUDKYDNBZBMV-UHFFFAOYSA-N
MW388.42 g/mol
LogP4.28
Rot. Bonds7

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

[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 53340984) has the molecular formula C19H17FN2O4S and a molecular weight of 388.42 g/mol. Its IUPAC name is [2-(4-fluoroanilino)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID53340984
Molecular FormulaC19H17FN2O4S
Molecular Weight388.42 g/mol
Exact Mass388.09
IUPAC Name[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2csc(Nc3ccc(F)cc3)n2)cc(OC)c1OC
InChIInChI=1S/C19H17FN2O4S/c1-24-15-8-11(9-16(25-2)18(15)26-3)17(23)14-10-27-19(22-14)21-13-6-4-12(20)5-7-13/h4-10H,1-3H3,(H,21,22)
InChIKeyFJPUDKYDNBZBMV-UHFFFAOYSA-N
XLogP4.28
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 54.28
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-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-(Trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 25259518
[4-(2-Amino-4-thiazolyl)phenyl](3,4,5-trimethoxyphenyl)methanone
CID 46929639

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluoroanilino)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [2-(4-fluoroanilino)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 53340984) is [2-(4-fluoroanilino)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [2-(4-fluoroanilino)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [2-(4-fluoroanilino)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2csc(Nc3ccc(F)cc3)n2)cc(OC)c1OC.
What is the InChIKey of [2-(4-fluoroanilino)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is FJPUDKYDNBZBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O4S/c1-24-15-8-11(9-16(25-2)18(15)26-3)17(23)14-10-27-19(22-14)21-13-6-4-12(20)5-7-13/h4-10H,1-3H3,(H,21,22).
What are the key properties of [2-(4-fluoroanilino)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 388.42 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluoroanilino)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 53340984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).