2-(2-aminoethyl)-N-(4-fluoro-3-methoxyphenyl)-1,3-thiazole-4-carboxamide

C13H14FN3O2S — CID 114839656

IUPAC2-(2-aminoethyl)-N-(4-fluoro-3-methoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1cc(NC(=O)c2csc(CCN)n2)ccc1F
InChIInChI=1S/C13H14FN3O2S/c1-19-11-6-8(2-3-9(11)14)16-13(18)10-7-20-12(17-10)4-5-15/h2-3,6-7H,4-5,15H2,1H3,(H,16,18)
InChIKeyFJBXYAAXZREYJH-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.04
Rot. Bonds5

About 2-(2-aminoethyl)-N-(4-fluoro-3-methoxyphenyl)-1,3-thiazole-4-carboxamide

2-(2-aminoethyl)-N-(4-fluoro-3-methoxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 114839656) has the molecular formula C13H14FN3O2S and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-(4-fluoro-3-methoxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-(4-fluoro-3-methoxyphenyl)-1,3-thiazole-4-carboxamide
PubChem CID114839656
Molecular FormulaC13H14FN3O2S
Molecular Weight295.34 g/mol
Exact Mass295.08
IUPAC Name2-(2-aminoethyl)-N-(4-fluoro-3-methoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1cc(NC(=O)c2csc(CCN)n2)ccc1F
InChIInChI=1S/C13H14FN3O2S/c1-19-11-6-8(2-3-9(11)14)16-13(18)10-7-20-12(17-10)4-5-15/h2-3,6-7H,4-5,15H2,1H3,(H,16,18)
InChIKeyFJBXYAAXZREYJH-UHFFFAOYSA-N
XLogP2.04
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-aminoethyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 120622378
2-(aminomethyl)-N-(3-fluoro-4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 66377615
N-(5-acetamido-2-methoxyphenyl)-2-(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 120617186
2-(2-aminoethyl)-N-(4-chloro-3-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 66388298
2-(2-aminoethyl)-N-(4-fluoro-2-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 66389147
2-(2-aminoethyl)-N-[3-(difluoromethoxy)-4-methylphenyl]-1,3-thiazole-4-carboxamide
CID 120633179
2-(2-aminoethyl)-N-(3,4-dipropoxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120617100
4-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-2-fluorobenzoic acid
CID 107795142
2-(2-aminoethyl)-N-(3-chloro-4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide
CID 120621387
2-(2-aminoethyl)-N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120621658
2-(2-aminoethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 120619249
2-(2-aminoethyl)-N-(3-methyl-4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120635893

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-(4-fluoro-3-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-(4-fluoro-3-methoxyphenyl)-1,3-thiazole-4-carboxamide (CID 114839656) is 2-(2-aminoethyl)-N-(4-fluoro-3-methoxyphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-(4-fluoro-3-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-(4-fluoro-3-methoxyphenyl)-1,3-thiazole-4-carboxamide is COc1cc(NC(=O)c2csc(CCN)n2)ccc1F.
What is the InChIKey of 2-(2-aminoethyl)-N-(4-fluoro-3-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is FJBXYAAXZREYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2S/c1-19-11-6-8(2-3-9(11)14)16-13(18)10-7-20-12(17-10)4-5-15/h2-3,6-7H,4-5,15H2,1H3,(H,16,18).
What are the key properties of 2-(2-aminoethyl)-N-(4-fluoro-3-methoxyphenyl)-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-(4-fluoro-3-methoxyphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-(4-fluoro-3-methoxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 114839656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).