2-[2-[[4-(dimethylamino)-3-fluorobenzoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid

C15H16FN3O3S — CID 167775492

IUPAC2-[2-[[4-(dimethylamino)-3-fluorobenzoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCN(C)c1ccc(C(=O)NCCc2nc(C(=O)O)cs2)cc1F
InChIInChI=1S/C15H16FN3O3S/c1-19(2)12-4-3-9(7-10(12)16)14(20)17-6-5-13-18-11(8-23-13)15(21)22/h3-4,7-8H,5-6H2,1-2H3,(H,17,20)(H,21,22)
InChIKeyMTKWIBKBYKNSGX-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.02
Rot. Bonds6

About 2-[2-[[4-(dimethylamino)-3-fluorobenzoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid

2-[2-[[4-(dimethylamino)-3-fluorobenzoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 167775492) has the molecular formula C15H16FN3O3S and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-[2-[[4-(dimethylamino)-3-fluorobenzoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-[[4-(dimethylamino)-3-fluorobenzoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
PubChem CID167775492
Molecular FormulaC15H16FN3O3S
Molecular Weight337.38 g/mol
Exact Mass337.09
IUPAC Name2-[2-[[4-(dimethylamino)-3-fluorobenzoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCN(C)c1ccc(C(=O)NCCc2nc(C(=O)O)cs2)cc1F
InChIInChI=1S/C15H16FN3O3S/c1-19(2)12-4-3-9(7-10(12)16)14(20)17-6-5-13-18-11(8-23-13)15(21)22/h3-4,7-8H,5-6H2,1-2H3,(H,17,20)(H,21,22)
InChIKeyMTKWIBKBYKNSGX-UHFFFAOYSA-N
XLogP2.02
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-[[4-(dimethylamino)-3-fluorobenzoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid with MolForge

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Related Compounds

2-[2-[(4-chlorobenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373281
2-[2-[(3-fluorobenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66375392
2-[2-[(3-hydroxy-4-methylbenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374641
2-[2-[(4-hydroxy-3-methylbenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 107675014
2-[2-[(2-fluoro-5-methylbenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66372733
2-[2-[(4-amino-3-chlorobenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374980
2-[2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66375242
2-[2-[(3-fluoropyridine-4-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66375227
2-[2-[(2-fluoro-6-hydroxybenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 107013694
2-[2-[(2-amino-5-fluorobenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374408
2-[2-[(2,5-dimethylfuran-3-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373092
2-[2-(pyridine-3-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373470

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-(dimethylamino)-3-fluorobenzoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[2-[[4-(dimethylamino)-3-fluorobenzoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid (CID 167775492) is 2-[2-[[4-(dimethylamino)-3-fluorobenzoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[2-[[4-(dimethylamino)-3-fluorobenzoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[2-[[4-(dimethylamino)-3-fluorobenzoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid is CN(C)c1ccc(C(=O)NCCc2nc(C(=O)O)cs2)cc1F.
What is the InChIKey of 2-[2-[[4-(dimethylamino)-3-fluorobenzoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is MTKWIBKBYKNSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O3S/c1-19(2)12-4-3-9(7-10(12)16)14(20)17-6-5-13-18-11(8-23-13)15(21)22/h3-4,7-8H,5-6H2,1-2H3,(H,17,20)(H,21,22).
What are the key properties of 2-[2-[[4-(dimethylamino)-3-fluorobenzoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid?
2-[2-[[4-(dimethylamino)-3-fluorobenzoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 337.38 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-(dimethylamino)-3-fluorobenzoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 167775492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).