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

C13H14FN3OS — CID 66390308

IUPAC2-(2-aminoethyl)-N-(3-fluorophenyl)-N-methyl-1,3-thiazole-4-carboxamide
SMILESCN(C(=O)c1csc(CCN)n1)c1cccc(F)c1
InChIInChI=1S/C13H14FN3OS/c1-17(10-4-2-3-9(14)7-10)13(18)11-8-19-12(16-11)5-6-15/h2-4,7-8H,5-6,15H2,1H3
InChIKeyYKOSTWQVSCMWND-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.06
Rot. Bonds4

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

2-(2-aminoethyl)-N-(3-fluorophenyl)-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 66390308) has the molecular formula C13H14FN3OS and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-(3-fluorophenyl)-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-(3-fluorophenyl)-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID66390308
Molecular FormulaC13H14FN3OS
Molecular Weight279.34 g/mol
Exact Mass279.08
IUPAC Name2-(2-aminoethyl)-N-(3-fluorophenyl)-N-methyl-1,3-thiazole-4-carboxamide
SMILESCN(C(=O)c1csc(CCN)n1)c1cccc(F)c1
InChIInChI=1S/C13H14FN3OS/c1-17(10-4-2-3-9(14)7-10)13(18)11-8-19-12(16-11)5-6-15/h2-4,7-8H,5-6,15H2,1H3
InChIKeyYKOSTWQVSCMWND-UHFFFAOYSA-N
XLogP2.06
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.06
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-(2-aminoethyl)-N-cyclopentyl-N-[2-(3-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120639014
2-(2-aminoethyl)-N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride
CID 120621650
2-(2-aminoethyl)-N-[(2,6-difluorophenyl)methyl]-N-ethyl-1,3-thiazole-4-carboxamide
CID 120630074
2-(2-aminoethyl)-N-methyl-N-[2-(N-methylanilino)ethyl]-1,3-thiazole-4-carboxamide
CID 120646541
2-(2-aminoethyl)-N-[(2-fluorophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 66388082
4-(aminomethyl)-N-(3-fluorophenyl)-N-methylpyridine-2-carboxamide
CID 115116999
N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-3-fluoroaniline
CID 66390575
2-(2-aminoethyl)-N-[2-(3-fluorophenyl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide
CID 120626362
2-(2-aminoethyl)-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 120630619
2-(2-aminoethyl)-N-(cyclopropylmethyl)-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride
CID 120624157
2-(2-aminoethyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120640026

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-(3-fluorophenyl)-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-(3-fluorophenyl)-N-methyl-1,3-thiazole-4-carboxamide (CID 66390308) is 2-(2-aminoethyl)-N-(3-fluorophenyl)-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-(3-fluorophenyl)-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-(3-fluorophenyl)-N-methyl-1,3-thiazole-4-carboxamide is CN(C(=O)c1csc(CCN)n1)c1cccc(F)c1.
What is the InChIKey of 2-(2-aminoethyl)-N-(3-fluorophenyl)-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is YKOSTWQVSCMWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3OS/c1-17(10-4-2-3-9(14)7-10)13(18)11-8-19-12(16-11)5-6-15/h2-4,7-8H,5-6,15H2,1H3.
What are the key properties of 2-(2-aminoethyl)-N-(3-fluorophenyl)-N-methyl-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-(3-fluorophenyl)-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-(3-fluorophenyl)-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66390308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).