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

C14H16FN3OS — CID 81377841

IUPAC2-(1-aminoethyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCC(N)c1nc(C(=O)N[C@H](C)c2ccccc2F)cs1
InChIInChI=1S/C14H16FN3OS/c1-8(16)14-18-12(7-20-14)13(19)17-9(2)10-5-3-4-6-11(10)15/h3-9H,16H2,1-2H3,(H,17,19)/t8?,9-/m1/s1
InChIKeyWDTYRPFTPFTZBM-YGPZHTELSA-N
MW293.37 g/mol
LogP2.79
Rot. Bonds4

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

2-(1-aminoethyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 81377841) has the molecular formula C14H16FN3OS and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-(1-aminoethyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminoethyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID81377841
Molecular FormulaC14H16FN3OS
Molecular Weight293.37 g/mol
Exact Mass293.10
IUPAC Name2-(1-aminoethyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCC(N)c1nc(C(=O)N[C@H](C)c2ccccc2F)cs1
InChIInChI=1S/C14H16FN3OS/c1-8(16)14-18-12(7-20-14)13(19)17-9(2)10-5-3-4-6-11(10)15/h3-9H,16H2,1-2H3,(H,17,19)/t8?,9-/m1/s1
InChIKeyWDTYRPFTPFTZBM-YGPZHTELSA-N
XLogP2.79
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-aminoethyl)-N-[(1S)-1-phenylethyl]-1,3-thiazole-4-carboxamide
CID 66388213
2-(1-aminoethyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81349122
2-(1-aminoethyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 66390401
2-[(1S)-1-[[2-[(1S)-1-aminoethyl]-1,3-thiazole-4-carbonyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid;hydrochloride
CID 16720895
2-(1-aminoethyl)-N-[2-(1-hydroxyethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 66388563
2-amino-N-[1-(2,4-difluorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 62787678
2-(1-aminoethyl)-N-hydroxy-1,3-thiazole-4-carboxamide
CID 66389377
2-(1-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide
CID 66374745
2-(1-aminoethyl)-N-(1-hydroxypropan-2-yl)-1,3-thiazole-4-carboxamide
CID 66375369
2-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 66375562
2-(2-aminoethyl)-N-[1-(2,5-difluorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 66389448
2-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]benzoic acid
CID 66389507

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-aminoethyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide (CID 81377841) is 2-(1-aminoethyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminoethyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-aminoethyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide is CC(N)c1nc(C(=O)N[C@H](C)c2ccccc2F)cs1.
What is the InChIKey of 2-(1-aminoethyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is WDTYRPFTPFTZBM-YGPZHTELSA-N. The full InChI is InChI=1S/C14H16FN3OS/c1-8(16)14-18-12(7-20-14)13(19)17-9(2)10-5-3-4-6-11(10)15/h3-9H,16H2,1-2H3,(H,17,19)/t8?,9-/m1/s1.
What are the key properties of 2-(1-aminoethyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide?
2-(1-aminoethyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 81377841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).