2-amino-N-ethyl-N-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide

C13H14FN3OS — CID 55115865

IUPAC2-amino-N-ethyl-N-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCN(C(=O)c1sc(N)nc1C)c1cccc(F)c1
InChIInChI=1S/C13H14FN3OS/c1-3-17(10-6-4-5-9(14)7-10)12(18)11-8(2)16-13(15)19-11/h4-7H,3H2,1-2H3,(H2,15,16)
InChIKeyQXEJXEXQGRMBRG-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.84
Rot. Bonds3

About 2-amino-N-ethyl-N-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide

2-amino-N-ethyl-N-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 55115865) has the molecular formula C13H14FN3OS and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-amino-N-ethyl-N-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-ethyl-N-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID55115865
Molecular FormulaC13H14FN3OS
Molecular Weight279.34 g/mol
Exact Mass279.08
IUPAC Name2-amino-N-ethyl-N-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCN(C(=O)c1sc(N)nc1C)c1cccc(F)c1
InChIInChI=1S/C13H14FN3OS/c1-3-17(10-6-4-5-9(14)7-10)12(18)11-8(2)16-13(15)19-11/h4-7H,3H2,1-2H3,(H2,15,16)
InChIKeyQXEJXEXQGRMBRG-UHFFFAOYSA-N
XLogP2.84
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-ethyl-N-(3-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 107734903
6-amino-N-ethyl-N-(3-fluorophenyl)pyridine-2-carboxamide
CID 62238970
2-(N-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-3-chloroanilino)acetic acid
CID 62793630
N-ethyl-4-fluoro-N-(3-fluorophenyl)-3-methylbenzamide
CID 63213412
2-(N-ethyl-3-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62765126
2-amino-N-[2-(3-fluorophenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55114963
4-amino-N-ethyl-N-(3-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 63102705
N-ethyl-2-fluoro-N-(3-fluorophenyl)-4-methylbenzamide
CID 79769914
4-amino-N,1-diethyl-N-(3-fluorophenyl)pyrazole-5-carboxamide
CID 65359004
2-amino-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 673715
3-chloro-N-ethyl-N-(3-fluorophenyl)-6-(methylamino)pyridine-2-carboxamide
CID 62179071
4-amino-N-ethyl-2-(methylamino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 116670796

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-N-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-ethyl-N-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 55115865) is 2-amino-N-ethyl-N-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-ethyl-N-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-ethyl-N-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide is CCN(C(=O)c1sc(N)nc1C)c1cccc(F)c1.
What is the InChIKey of 2-amino-N-ethyl-N-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is QXEJXEXQGRMBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3OS/c1-3-17(10-6-4-5-9(14)7-10)12(18)11-8(2)16-13(15)19-11/h4-7H,3H2,1-2H3,(H2,15,16).
What are the key properties of 2-amino-N-ethyl-N-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
2-amino-N-ethyl-N-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-N-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55115865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).