2-(1-aminoethyl)-N-(4-fluorophenyl)-N-methyl-1,3-thiazole-4-carboxamide

C13H14FN3OS — CID 66388955

IUPAC2-(1-aminoethyl)-N-(4-fluorophenyl)-N-methyl-1,3-thiazole-4-carboxamide
SMILESCC(N)c1nc(C(=O)N(C)c2ccc(F)cc2)cs1
InChIInChI=1S/C13H14FN3OS/c1-8(15)12-16-11(7-19-12)13(18)17(2)10-5-3-9(14)4-6-10/h3-8H,15H2,1-2H3
InChIKeyOYMAJWGPWNHAGV-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.58
Rot. Bonds3

About 2-(1-aminoethyl)-N-(4-fluorophenyl)-N-methyl-1,3-thiazole-4-carboxamide

2-(1-aminoethyl)-N-(4-fluorophenyl)-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 66388955) has the molecular formula C13H14FN3OS and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(1-aminoethyl)-N-(4-fluorophenyl)-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminoethyl)-N-(4-fluorophenyl)-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID66388955
Molecular FormulaC13H14FN3OS
Molecular Weight279.34 g/mol
Exact Mass279.08
IUPAC Name2-(1-aminoethyl)-N-(4-fluorophenyl)-N-methyl-1,3-thiazole-4-carboxamide
SMILESCC(N)c1nc(C(=O)N(C)c2ccc(F)cc2)cs1
InChIInChI=1S/C13H14FN3OS/c1-8(15)12-16-11(7-19-12)13(18)17(2)10-5-3-9(14)4-6-10/h3-8H,15H2,1-2H3
InChIKeyOYMAJWGPWNHAGV-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-(4-fluorophenyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 66376521
2-(1-aminoethyl)-N-cycloheptyl-N-methyl-1,3-thiazole-4-carboxamide
CID 66390398
2-(1-aminoethyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81349122
2-(1-aminoethyl)-N-ethyl-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 66389737
2-(1-aminoethyl)-N-ethyl-N-(2-ethylbutyl)-1,3-thiazole-4-carboxamide
CID 66388664
2-(1-aminoethyl)-N-[(2,4-difluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3705174
2-(1-aminoethyl)-N,N-bis(cyanomethyl)-1,3-thiazole-4-carboxamide
CID 66374374
2-(1-aminoethyl)-N-methyl-N-(2-methyloxolan-3-yl)-1,3-thiazole-4-carboxamide
CID 82738962
2-(1-aminoethyl)-N-butyl-N-phenyl-1,3-thiazole-4-carboxamide
CID 66388418
2-(1-aminoethyl)-N-[(2-chlorophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 66388886
2-(2-aminoethyl)-N-(3-fluorophenyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 66390308
2-(1-aminoethyl)-N-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 66389821

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-N-(4-fluorophenyl)-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-aminoethyl)-N-(4-fluorophenyl)-N-methyl-1,3-thiazole-4-carboxamide (CID 66388955) is 2-(1-aminoethyl)-N-(4-fluorophenyl)-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminoethyl)-N-(4-fluorophenyl)-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-aminoethyl)-N-(4-fluorophenyl)-N-methyl-1,3-thiazole-4-carboxamide is CC(N)c1nc(C(=O)N(C)c2ccc(F)cc2)cs1.
What is the InChIKey of 2-(1-aminoethyl)-N-(4-fluorophenyl)-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is OYMAJWGPWNHAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3OS/c1-8(15)12-16-11(7-19-12)13(18)17(2)10-5-3-9(14)4-6-10/h3-8H,15H2,1-2H3.
What are the key properties of 2-(1-aminoethyl)-N-(4-fluorophenyl)-N-methyl-1,3-thiazole-4-carboxamide?
2-(1-aminoethyl)-N-(4-fluorophenyl)-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-N-(4-fluorophenyl)-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66388955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).