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

C17H19ClFN3O2S — CID 53169012

IUPAC2-[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(CC(=O)Nc2ccc(F)cc2Cl)sc1C(=O)NCC(C)C
InChIInChI=1S/C17H19ClFN3O2S/c1-9(2)8-20-17(24)16-10(3)21-15(25-16)7-14(23)22-13-5-4-11(19)6-12(13)18/h4-6,9H,7-8H2,1-3H3,(H,20,24)(H,22,23)
InChIKeyHZNXJMDIWSSAPX-UHFFFAOYSA-N
MW383.88 g/mol
LogP3.81
Rot. Bonds6

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

2-[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide (PubChem CID 53169012) has the molecular formula C17H19ClFN3O2S and a molecular weight of 383.88 g/mol. Its IUPAC name is 2-[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
PubChem CID53169012
Molecular FormulaC17H19ClFN3O2S
Molecular Weight383.88 g/mol
Exact Mass383.09
IUPAC Name2-[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(CC(=O)Nc2ccc(F)cc2Cl)sc1C(=O)NCC(C)C
InChIInChI=1S/C17H19ClFN3O2S/c1-9(2)8-20-17(24)16-10(3)21-15(25-16)7-14(23)22-13-5-4-11(19)6-12(13)18/h4-6,9H,7-8H2,1-3H3,(H,20,24)(H,22,23)
InChIKeyHZNXJMDIWSSAPX-UHFFFAOYSA-N
XLogP3.81
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

2-[2-(3,5-difluoroanilino)-2-oxoethyl]-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 53169023
2-(2-anilino-2-oxoethyl)-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 53169008
2-(2-hydrazinyl-2-oxoethyl)-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 126422555
[1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 16519606
N-(2-chloro-4-methylphenyl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 16616440
N-(2-chloro-4-iodophenyl)-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide
CID 49325357
2-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 9154260
(2S)-2-[[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]amino]propanoic acid
CID 83195208
N-cyclopropyl-2-[2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 95101882
2-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 82154739
N-(2,4-dichlorophenyl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 27666998
N-(2-chloro-4-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2532898

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide (CID 53169012) is 2-[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide is Cc1nc(CC(=O)Nc2ccc(F)cc2Cl)sc1C(=O)NCC(C)C.
What is the InChIKey of 2-[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
The InChIKey is HZNXJMDIWSSAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN3O2S/c1-9(2)8-20-17(24)16-10(3)21-15(25-16)7-14(23)22-13-5-4-11(19)6-12(13)18/h4-6,9H,7-8H2,1-3H3,(H,20,24)(H,22,23).
What are the key properties of 2-[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
2-[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide has a molecular weight of 383.88 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53169012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).