2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide

C13H11ClF3N3OS — CID 110451051

IUPAC2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
SMILESNCc1nc(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cs1
InChIInChI=1S/C13H11ClF3N3OS/c14-9-2-1-7(13(15,16)17)3-10(9)20-11(21)4-8-6-22-12(5-18)19-8/h1-3,6H,4-5,18H2,(H,20,21)
InChIKeyYBXLEDQXBZCCNU-UHFFFAOYSA-N
MW349.77 g/mol
LogP3.46
Rot. Bonds4

About 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide

2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 110451051) has the molecular formula C13H11ClF3N3OS and a molecular weight of 349.77 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
PubChem CID110451051
Molecular FormulaC13H11ClF3N3OS
Molecular Weight349.77 g/mol
Exact Mass349.03
IUPAC Name2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
SMILESNCc1nc(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cs1
InChIInChI=1S/C13H11ClF3N3OS/c14-9-2-1-7(13(15,16)17)3-10(9)20-11(21)4-8-6-22-12(5-18)19-8/h1-3,6H,4-5,18H2,(H,20,21)
InChIKeyYBXLEDQXBZCCNU-UHFFFAOYSA-N
XLogP3.46
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.77
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(2,5-dichlorophenyl)acetamide
CID 110450896
2-(2-amino-1,3-thiazol-4-yl)-N-[2-chloro-4-(trifluoromethyl)phenyl]acetamide
CID 62799070
N-(2,5-dichlorophenyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 31701113
N-[2-acetamido-5-(trifluoromethyl)phenyl]-2-(2-ethyl-1,3-thiazol-4-yl)acetamide
CID 48524260
2-[2-[2-chloro-5-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetic acid
CID 80574105
2-(aminomethyl)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 66381003
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide
CID 110650696
2-[2-[(2S)-1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl]-1,3-thiazol-4-yl]acetic acid
CID 9158224
2-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-N-(2,4-dichlorophenyl)acetamide
CID 110450895
N,N'-bis[2-chloro-5-(trifluoromethyl)phenyl]nonanediamide
CID 54787319
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,4-dimethylphenyl)acetamide
CID 100630513
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[5-(1H-indol-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 135921696

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide (CID 110451051) is 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide is NCc1nc(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cs1.
What is the InChIKey of 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is YBXLEDQXBZCCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF3N3OS/c14-9-2-1-7(13(15,16)17)3-10(9)20-11(21)4-8-6-22-12(5-18)19-8/h1-3,6H,4-5,18H2,(H,20,21).
What are the key properties of 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 349.77 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 110451051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).