N,N-diethyl-2-[(2-fluorobenzoyl)amino]-1,3-thiazole-4-carboxamide

C15H16FN3O2S — CID 46114215

IUPACN,N-diethyl-2-[(2-fluorobenzoyl)amino]-1,3-thiazole-4-carboxamide
SMILESCCN(CC)C(=O)c1csc(NC(=O)c2ccccc2F)n1
InChIInChI=1S/C15H16FN3O2S/c1-3-19(4-2)14(21)12-9-22-15(17-12)18-13(20)10-7-5-6-8-11(10)16/h5-9H,3-4H2,1-2H3,(H,17,18,20)
InChIKeyAYYNVXMSPPDBAD-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.02
Rot. Bonds5

About N,N-diethyl-2-[(2-fluorobenzoyl)amino]-1,3-thiazole-4-carboxamide

N,N-diethyl-2-[(2-fluorobenzoyl)amino]-1,3-thiazole-4-carboxamide (PubChem CID 46114215) has the molecular formula C15H16FN3O2S and a molecular weight of 321.38 g/mol. Its IUPAC name is N,N-diethyl-2-[(2-fluorobenzoyl)amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(2-fluorobenzoyl)amino]-1,3-thiazole-4-carboxamide
PubChem CID46114215
Molecular FormulaC15H16FN3O2S
Molecular Weight321.38 g/mol
Exact Mass321.09
IUPAC NameN,N-diethyl-2-[(2-fluorobenzoyl)amino]-1,3-thiazole-4-carboxamide
SMILESCCN(CC)C(=O)c1csc(NC(=O)c2ccccc2F)n1
InChIInChI=1S/C15H16FN3O2S/c1-3-19(4-2)14(21)12-9-22-15(17-12)18-13(20)10-7-5-6-8-11(10)16/h5-9H,3-4H2,1-2H3,(H,17,18,20)
InChIKeyAYYNVXMSPPDBAD-UHFFFAOYSA-N
XLogP3.02
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-[2-(dimethylamino)ethyl]-2-[(2-fluorobenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 46172645
2-[(2-fluorobenzoyl)amino]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 46114246
2-[(2-fluorobenzoyl)amino]-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 16916583
2-fluoro-N-[4-(4-methylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]benzamide
CID 46114250
2-[(2,6-difluorobenzoyl)amino]-N,N-dimethyl-1,3-thiazole-4-carboxamide
CID 46114302
2-fluoro-N-[4-(4-methylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]benzamide
CID 46114227
N-[4-[4-(butanoylamino)phenyl]-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 9166885
2-fluoro-N-[4-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]-propylamino]ethyl]-1,3-thiazol-2-yl]benzamide
CID 55894255
N-[3-(diethylcarbamoyl)phenyl]-2-fluorobenzamide
CID 17194604
2-[(2-fluorobenzoyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 46114255
N-benzyl-N-ethyl-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84556290
2-fluoro-N-[4-[2-oxo-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]ethyl]-1,3-thiazol-2-yl]benzamide
CID 56557619

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(2-fluorobenzoyl)amino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N,N-diethyl-2-[(2-fluorobenzoyl)amino]-1,3-thiazole-4-carboxamide (CID 46114215) is N,N-diethyl-2-[(2-fluorobenzoyl)amino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N,N-diethyl-2-[(2-fluorobenzoyl)amino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N,N-diethyl-2-[(2-fluorobenzoyl)amino]-1,3-thiazole-4-carboxamide is CCN(CC)C(=O)c1csc(NC(=O)c2ccccc2F)n1.
What is the InChIKey of N,N-diethyl-2-[(2-fluorobenzoyl)amino]-1,3-thiazole-4-carboxamide?
The InChIKey is AYYNVXMSPPDBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2S/c1-3-19(4-2)14(21)12-9-22-15(17-12)18-13(20)10-7-5-6-8-11(10)16/h5-9H,3-4H2,1-2H3,(H,17,18,20).
What are the key properties of N,N-diethyl-2-[(2-fluorobenzoyl)amino]-1,3-thiazole-4-carboxamide?
N,N-diethyl-2-[(2-fluorobenzoyl)amino]-1,3-thiazole-4-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(2-fluorobenzoyl)amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46114215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).