2-[2-(3,5-difluoroanilino)-2-oxoethyl]-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide

C17H19F2N3O2S — CID 53169023

IUPAC2-[2-(3,5-difluoroanilino)-2-oxoethyl]-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(CC(=O)Nc2cc(F)cc(F)c2)sc1C(=O)NCC(C)C
InChIInChI=1S/C17H19F2N3O2S/c1-9(2)8-20-17(24)16-10(3)21-15(25-16)7-14(23)22-13-5-11(18)4-12(19)6-13/h4-6,9H,7-8H2,1-3H3,(H,20,24)(H,22,23)
InChIKeyRFRHBEFASHZYOF-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.30
Rot. Bonds6

About 2-[2-(3,5-difluoroanilino)-2-oxoethyl]-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide

2-[2-(3,5-difluoroanilino)-2-oxoethyl]-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide (PubChem CID 53169023) has the molecular formula C17H19F2N3O2S and a molecular weight of 367.42 g/mol. Its IUPAC name is 2-[2-(3,5-difluoroanilino)-2-oxoethyl]-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[2-(3,5-difluoroanilino)-2-oxoethyl]-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
PubChem CID53169023
Molecular FormulaC17H19F2N3O2S
Molecular Weight367.42 g/mol
Exact Mass367.12
IUPAC Name2-[2-(3,5-difluoroanilino)-2-oxoethyl]-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(CC(=O)Nc2cc(F)cc(F)c2)sc1C(=O)NCC(C)C
InChIInChI=1S/C17H19F2N3O2S/c1-9(2)8-20-17(24)16-10(3)21-15(25-16)7-14(23)22-13-5-11(18)4-12(19)6-13/h4-6,9H,7-8H2,1-3H3,(H,20,24)(H,22,23)
InChIKeyRFRHBEFASHZYOF-UHFFFAOYSA-N
XLogP3.30
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-difluoroanilino)-2-oxoethyl]-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[2-(3,5-difluoroanilino)-2-oxoethyl]-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide (CID 53169023) is 2-[2-(3,5-difluoroanilino)-2-oxoethyl]-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[2-(3,5-difluoroanilino)-2-oxoethyl]-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[2-(3,5-difluoroanilino)-2-oxoethyl]-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide is Cc1nc(CC(=O)Nc2cc(F)cc(F)c2)sc1C(=O)NCC(C)C.
What is the InChIKey of 2-[2-(3,5-difluoroanilino)-2-oxoethyl]-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
The InChIKey is RFRHBEFASHZYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O2S/c1-9(2)8-20-17(24)16-10(3)21-15(25-16)7-14(23)22-13-5-11(18)4-12(19)6-13/h4-6,9H,7-8H2,1-3H3,(H,20,24)(H,22,23).
What are the key properties of 2-[2-(3,5-difluoroanilino)-2-oxoethyl]-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
2-[2-(3,5-difluoroanilino)-2-oxoethyl]-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide has a molecular weight of 367.42 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-difluoroanilino)-2-oxoethyl]-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53169023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).