2-(2,4-dimethoxyanilino)-N-(3-fluoro-4-methylphenyl)-1,3-thiazole-4-carboxamide

C19H18FN3O3S — CID 16821100

IUPAC2-(2,4-dimethoxyanilino)-N-(3-fluoro-4-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(Nc2nc(C(=O)Nc3ccc(C)c(F)c3)cs2)c(OC)c1
InChIInChI=1S/C19H18FN3O3S/c1-11-4-5-12(8-14(11)20)21-18(24)16-10-27-19(23-16)22-15-7-6-13(25-2)9-17(15)26-3/h4-10H,1-3H3,(H,21,24)(H,22,23)
InChIKeyWTSAIKYFASPFSR-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.60
Rot. Bonds6

About 2-(2,4-dimethoxyanilino)-N-(3-fluoro-4-methylphenyl)-1,3-thiazole-4-carboxamide

2-(2,4-dimethoxyanilino)-N-(3-fluoro-4-methylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 16821100) has the molecular formula C19H18FN3O3S and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-(2,4-dimethoxyanilino)-N-(3-fluoro-4-methylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethoxyanilino)-N-(3-fluoro-4-methylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID16821100
Molecular FormulaC19H18FN3O3S
Molecular Weight387.44 g/mol
Exact Mass387.11
IUPAC Name2-(2,4-dimethoxyanilino)-N-(3-fluoro-4-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(Nc2nc(C(=O)Nc3ccc(C)c(F)c3)cs2)c(OC)c1
InChIInChI=1S/C19H18FN3O3S/c1-11-4-5-12(8-14(11)20)21-18(24)16-10-27-19(23-16)22-15-7-6-13(25-2)9-17(15)26-3/h4-10H,1-3H3,(H,21,24)(H,22,23)
InChIKeyWTSAIKYFASPFSR-UHFFFAOYSA-N
XLogP4.60
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyanilino)-N-(3-fluoro-4-methylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2,4-dimethoxyanilino)-N-(3-fluoro-4-methylphenyl)-1,3-thiazole-4-carboxamide (CID 16821100) is 2-(2,4-dimethoxyanilino)-N-(3-fluoro-4-methylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2,4-dimethoxyanilino)-N-(3-fluoro-4-methylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2,4-dimethoxyanilino)-N-(3-fluoro-4-methylphenyl)-1,3-thiazole-4-carboxamide is COc1ccc(Nc2nc(C(=O)Nc3ccc(C)c(F)c3)cs2)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyanilino)-N-(3-fluoro-4-methylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is WTSAIKYFASPFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3S/c1-11-4-5-12(8-14(11)20)21-18(24)16-10-27-19(23-16)22-15-7-6-13(25-2)9-17(15)26-3/h4-10H,1-3H3,(H,21,24)(H,22,23).
What are the key properties of 2-(2,4-dimethoxyanilino)-N-(3-fluoro-4-methylphenyl)-1,3-thiazole-4-carboxamide?
2-(2,4-dimethoxyanilino)-N-(3-fluoro-4-methylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyanilino)-N-(3-fluoro-4-methylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 16821100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).