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

C14H16FN3OS — CID 66388082

IUPAC2-(2-aminoethyl)-N-[(2-fluorophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
SMILESCN(Cc1ccccc1F)C(=O)c1csc(CCN)n1
InChIInChI=1S/C14H16FN3OS/c1-18(8-10-4-2-3-5-11(10)15)14(19)12-9-20-13(17-12)6-7-16/h2-5,9H,6-8,16H2,1H3
InChIKeyKGZBNLFJHLPQKE-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.06
Rot. Bonds5

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

2-(2-aminoethyl)-N-[(2-fluorophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 66388082) has the molecular formula C14H16FN3OS and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[(2-fluorophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[(2-fluorophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID66388082
Molecular FormulaC14H16FN3OS
Molecular Weight293.37 g/mol
Exact Mass293.10
IUPAC Name2-(2-aminoethyl)-N-[(2-fluorophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
SMILESCN(Cc1ccccc1F)C(=O)c1csc(CCN)n1
InChIInChI=1S/C14H16FN3OS/c1-18(8-10-4-2-3-5-11(10)15)14(19)12-9-20-13(17-12)6-7-16/h2-5,9H,6-8,16H2,1H3
InChIKeyKGZBNLFJHLPQKE-UHFFFAOYSA-N
XLogP2.06
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminoethyl)-N-(1-benzothiophen-3-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 120620568
2-(2-aminoethyl)-N-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 66374204
2-(2-aminoethyl)-N-[2-(2-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120618131
2-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119681703
2-(2-aminoethyl)-N-methyl-N-[2-(N-methylanilino)ethyl]-1,3-thiazole-4-carboxamide
CID 120646541
2-(2-aminoethyl)-N-[(2,6-difluorophenyl)methyl]-N-ethyl-1,3-thiazole-4-carboxamide
CID 120630074
2-(2-aminoethyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 120637590
2-(2-aminoethyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 120617472
2-(2-aminoethyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 66389291
2-(2-aminoethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride
CID 120618133
2-(aminomethyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 66375709
N-[(2-fluorophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 63048529

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[(2-fluorophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-[(2-fluorophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide (CID 66388082) is 2-(2-aminoethyl)-N-[(2-fluorophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-[(2-fluorophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-[(2-fluorophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide is CN(Cc1ccccc1F)C(=O)c1csc(CCN)n1.
What is the InChIKey of 2-(2-aminoethyl)-N-[(2-fluorophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is KGZBNLFJHLPQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3OS/c1-18(8-10-4-2-3-5-11(10)15)14(19)12-9-20-13(17-12)6-7-16/h2-5,9H,6-8,16H2,1H3.
What are the key properties of 2-(2-aminoethyl)-N-[(2-fluorophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-[(2-fluorophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[(2-fluorophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66388082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).