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

C12H12FN3OS — CID 62786731

IUPAC2-amino-N-ethyl-N-(2-fluorophenyl)-1,3-thiazole-4-carboxamide
SMILESCCN(C(=O)c1csc(N)n1)c1ccccc1F
InChIInChI=1S/C12H12FN3OS/c1-2-16(10-6-4-3-5-8(10)13)11(17)9-7-18-12(14)15-9/h3-7H,2H2,1H3,(H2,14,15)
InChIKeyIUXIXMOWKIBHHE-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.53
Rot. Bonds3

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

2-amino-N-ethyl-N-(2-fluorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 62786731) has the molecular formula C12H12FN3OS and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-amino-N-ethyl-N-(2-fluorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-ethyl-N-(2-fluorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID62786731
Molecular FormulaC12H12FN3OS
Molecular Weight265.31 g/mol
Exact Mass265.07
IUPAC Name2-amino-N-ethyl-N-(2-fluorophenyl)-1,3-thiazole-4-carboxamide
SMILESCCN(C(=O)c1csc(N)n1)c1ccccc1F
InChIInChI=1S/C12H12FN3OS/c1-2-16(10-6-4-3-5-8(10)13)11(17)9-7-18-12(14)15-9/h3-7H,2H2,1H3,(H2,14,15)
InChIKeyIUXIXMOWKIBHHE-UHFFFAOYSA-N
XLogP2.53
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-N-ethyl-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 113346688
ethyl 2-(2-fluoro-N-(2-phenyl-1,3-thiazole-4-carbonyl)anilino)acetate
CID 99609548
N-ethyl-N-(2-fluorophenyl)-4-sulfanylthiophene-2-carboxamide
CID 107027791
2-amino-N-ethyl-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 62788372
2-(2-amino-1,3-thiazol-4-yl)-N-(2-fluorophenyl)-N-methylacetamide
CID 55119506
3-amino-N-ethyl-N-(2-fluorophenyl)pyridine-4-carboxamide
CID 105069177
ethyl-(2-fluorophenyl)carbamic acid
CID 57376109
2-amino-N-ethyl-N-propyl-1,3-thiazole-4-carboxamide
CID 62788191
2-(2-amino-1,3-thiazol-4-yl)-N-ethyl-N-(2-methylphenyl)acetamide
CID 62797273
4-amino-N,1-diethyl-N-(2-fluorophenyl)-3-methylpyrazole-5-carboxamide
CID 66123123
1-(2-amino-1,3-thiazol-4-yl)-2-(dimethylamino)ethanone;hydrobromide
CID 170895769
2-amino-N-ethyl-3,3,3-trifluoro-N-(2-fluorophenyl)-2-methylpropanamide
CID 79810988

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-N-(2-fluorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-ethyl-N-(2-fluorophenyl)-1,3-thiazole-4-carboxamide (CID 62786731) is 2-amino-N-ethyl-N-(2-fluorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-ethyl-N-(2-fluorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-ethyl-N-(2-fluorophenyl)-1,3-thiazole-4-carboxamide is CCN(C(=O)c1csc(N)n1)c1ccccc1F.
What is the InChIKey of 2-amino-N-ethyl-N-(2-fluorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is IUXIXMOWKIBHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3OS/c1-2-16(10-6-4-3-5-8(10)13)11(17)9-7-18-12(14)15-9/h3-7H,2H2,1H3,(H2,14,15).
What are the key properties of 2-amino-N-ethyl-N-(2-fluorophenyl)-1,3-thiazole-4-carboxamide?
2-amino-N-ethyl-N-(2-fluorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 265.31 g/mol, XLogP of 2.53, 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-(2-fluorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 62786731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).