2-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide

C14H16FN3OS — CID 66376296

IUPAC2-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide
SMILESCC(c1ccccc1F)N(C)C(=O)c1csc(CN)n1
InChIInChI=1S/C14H16FN3OS/c1-9(10-5-3-4-6-11(10)15)18(2)14(19)12-8-20-13(7-16)17-12/h3-6,8-9H,7,16H2,1-2H3
InChIKeyPYXBWOUPDXOZTQ-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.57
Rot. Bonds4

About 2-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide

2-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 66376296) has the molecular formula C14H16FN3OS and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID66376296
Molecular FormulaC14H16FN3OS
Molecular Weight293.37 g/mol
Exact Mass293.10
IUPAC Name2-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide
SMILESCC(c1ccccc1F)N(C)C(=O)c1csc(CN)n1
InChIInChI=1S/C14H16FN3OS/c1-9(10-5-3-4-6-11(10)15)18(2)14(19)12-8-20-13(7-16)17-12/h3-6,8-9H,7,16H2,1-2H3
InChIKeyPYXBWOUPDXOZTQ-UHFFFAOYSA-N
XLogP2.57
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 97108607
2-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119727054
2-(2-aminoethyl)-N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride
CID 120621650
6-amino-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridine-2-carboxamide
CID 62980163
2-(aminomethyl)-N-methyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 119892993
2-(2-aminoethyl)-N-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 66388715
4-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide
CID 60938948
2-(aminomethyl)-N-[(2R,3S)-3-(4-chlorophenyl)butan-2-yl]-N-methyl-1,3-thiazole-4-carboxamide
CID 124693506
6-amino-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridazine-3-carboxamide
CID 62980702
2-amino-N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 62788080
2-(aminomethyl)-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 119795550
2-(aminomethyl)-N-(4-fluorophenyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 66376521

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide (CID 66376296) is 2-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide is CC(c1ccccc1F)N(C)C(=O)c1csc(CN)n1.
What is the InChIKey of 2-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is PYXBWOUPDXOZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3OS/c1-9(10-5-3-4-6-11(10)15)18(2)14(19)12-8-20-13(7-16)17-12/h3-6,8-9H,7,16H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66376296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).