N-ethyl-2-[(4-fluorobenzoyl)-methylamino]-N-methyl-1,3-thiazole-4-carboxamide

C15H16FN3O2S — CID 24803039

IUPACN-ethyl-2-[(4-fluorobenzoyl)-methylamino]-N-methyl-1,3-thiazole-4-carboxamide
SMILESCCN(C)C(=O)c1csc(N(C)C(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C15H16FN3O2S/c1-4-18(2)14(21)12-9-22-15(17-12)19(3)13(20)10-5-7-11(16)8-6-10/h5-9H,4H2,1-3H3
InChIKeyPOHGDZVMFIBTGR-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.65
Rot. Bonds4

About N-ethyl-2-[(4-fluorobenzoyl)-methylamino]-N-methyl-1,3-thiazole-4-carboxamide

N-ethyl-2-[(4-fluorobenzoyl)-methylamino]-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 24803039) has the molecular formula C15H16FN3O2S and a molecular weight of 321.38 g/mol. Its IUPAC name is N-ethyl-2-[(4-fluorobenzoyl)-methylamino]-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-[(4-fluorobenzoyl)-methylamino]-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID24803039
Molecular FormulaC15H16FN3O2S
Molecular Weight321.38 g/mol
Exact Mass321.09
IUPAC NameN-ethyl-2-[(4-fluorobenzoyl)-methylamino]-N-methyl-1,3-thiazole-4-carboxamide
SMILESCCN(C)C(=O)c1csc(N(C)C(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C15H16FN3O2S/c1-4-18(2)14(21)12-9-22-15(17-12)19(3)13(20)10-5-7-11(16)8-6-10/h5-9H,4H2,1-3H3
InChIKeyPOHGDZVMFIBTGR-UHFFFAOYSA-N
XLogP2.65
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-methyl-N-[4-(3-methylbutanoyl)-1,3-thiazol-2-yl]benzamide
CID 24805014
4-fluoro-N-methyl-N-[4-(2-methylpropylamino)-1,3-thiazol-2-yl]benzamide
CID 24805186
4-fluoro-N-methyl-N-[4-(1,2,4-thiadiazol-5-yl)-1,3-thiazol-2-yl]benzamide
CID 16661886
4-fluoro-N-methyl-N-[4-[6-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]benzamide
CID 16660294
[5-[2-[(4-fluorobenzoyl)-methylamino]-1,3-thiazol-4-yl]-1,3,4-thiadiazol-2-yl] N-methylcarbamate
CID 16659653
4-fluoro-N-methyl-N-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-yl]benzamide
CID 16659975
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,4,5-trimethoxy-N-methylbenzamide
CID 1176039
2-(aminomethyl)-N-(4-fluorophenyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 66376521
2-[ethyl(methyl)amino]-1-(4-fluorophenyl)propan-1-one
CID 43794816
4-fluoro-N-methyl-N-propylbenzamide
CID 60928889
N-[(4-fluorophenyl)methyl]-N-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 46474338
2-(4-fluorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 111695081

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(4-fluorobenzoyl)-methylamino]-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-ethyl-2-[(4-fluorobenzoyl)-methylamino]-N-methyl-1,3-thiazole-4-carboxamide (CID 24803039) is N-ethyl-2-[(4-fluorobenzoyl)-methylamino]-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-ethyl-2-[(4-fluorobenzoyl)-methylamino]-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-ethyl-2-[(4-fluorobenzoyl)-methylamino]-N-methyl-1,3-thiazole-4-carboxamide is CCN(C)C(=O)c1csc(N(C)C(=O)c2ccc(F)cc2)n1.
What is the InChIKey of N-ethyl-2-[(4-fluorobenzoyl)-methylamino]-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is POHGDZVMFIBTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2S/c1-4-18(2)14(21)12-9-22-15(17-12)19(3)13(20)10-5-7-11(16)8-6-10/h5-9H,4H2,1-3H3.
What are the key properties of N-ethyl-2-[(4-fluorobenzoyl)-methylamino]-N-methyl-1,3-thiazole-4-carboxamide?
N-ethyl-2-[(4-fluorobenzoyl)-methylamino]-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(4-fluorobenzoyl)-methylamino]-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 24803039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).