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

C12H9ClF3N3OS — CID 62799070

IUPAC2-(2-amino-1,3-thiazol-4-yl)-N-[2-chloro-4-(trifluoromethyl)phenyl]acetamide
SMILESNc1nc(CC(=O)Nc2ccc(C(F)(F)F)cc2Cl)cs1
InChIInChI=1S/C12H9ClF3N3OS/c13-8-3-6(12(14,15)16)1-2-9(8)19-10(20)4-7-5-21-11(17)18-7/h1-3,5H,4H2,(H2,17,18)(H,19,20)
InChIKeyNDXCMOQLNWFCNV-UHFFFAOYSA-N
MW335.74 g/mol
LogP3.58
Rot. Bonds3

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

2-(2-amino-1,3-thiazol-4-yl)-N-[2-chloro-4-(trifluoromethyl)phenyl]acetamide (PubChem CID 62799070) has the molecular formula C12H9ClF3N3OS and a molecular weight of 335.74 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-N-[2-chloro-4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-N-[2-chloro-4-(trifluoromethyl)phenyl]acetamide
PubChem CID62799070
Molecular FormulaC12H9ClF3N3OS
Molecular Weight335.74 g/mol
Exact Mass335.01
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-N-[2-chloro-4-(trifluoromethyl)phenyl]acetamide
SMILESNc1nc(CC(=O)Nc2ccc(C(F)(F)F)cc2Cl)cs1
InChIInChI=1S/C12H9ClF3N3OS/c13-8-3-6(12(14,15)16)1-2-9(8)19-10(20)4-7-5-21-11(17)18-7/h1-3,5H,4H2,(H2,17,18)(H,19,20)
InChIKeyNDXCMOQLNWFCNV-UHFFFAOYSA-N
XLogP3.58
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.74
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 110451051
2-(2-amino-1,3-thiazol-4-yl)-N-(2,5-dichloro-4-methylphenyl)acetamide
CID 104727137
2-amino-N-[2-chloro-4-(trifluoromethyl)phenyl]acetamide
CID 43707397
N-[2-chloro-4-(trifluoromethyl)phenyl]-2-phenylacetamide
CID 17102273
2-(2-amino-1,3-thiazol-4-yl)-N-(3,5-dichloro-4-fluorophenyl)acetamide
CID 107574425
N-[2-chloro-4-(trifluoromethyl)phenyl]-2-iodoacetamide
CID 166140537
2-(2-amino-1,3-thiazol-4-yl)-N-[3-chloro-2-(dimethylamino)phenyl]acetamide
CID 62798885
2-(2-amino-1,3-thiazol-4-yl)-N-(2,4-dibromophenyl)acetamide
CID 62799765
N-(2,5-dichlorophenyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 31701113
2-(2-amino-1,3-thiazol-4-yl)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone
CID 102756784
2-(2-amino-1,3-thiazol-4-yl)-N-(4-fluoro-2-methoxyphenyl)acetamide
CID 62799641
2-(2-amino-1,3-thiazol-4-yl)-N-(2-bromo-5-chloro-4-methylphenyl)acetamide
CID 104723693

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-[2-chloro-4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-[2-chloro-4-(trifluoromethyl)phenyl]acetamide (CID 62799070) is 2-(2-amino-1,3-thiazol-4-yl)-N-[2-chloro-4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-N-[2-chloro-4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-N-[2-chloro-4-(trifluoromethyl)phenyl]acetamide is Nc1nc(CC(=O)Nc2ccc(C(F)(F)F)cc2Cl)cs1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-N-[2-chloro-4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is NDXCMOQLNWFCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF3N3OS/c13-8-3-6(12(14,15)16)1-2-9(8)19-10(20)4-7-5-21-11(17)18-7/h1-3,5H,4H2,(H2,17,18)(H,19,20).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-N-[2-chloro-4-(trifluoromethyl)phenyl]acetamide?
2-(2-amino-1,3-thiazol-4-yl)-N-[2-chloro-4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 335.74 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)-N-[2-chloro-4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 62799070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).