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

C14H13ClF3N3OS — CID 166228141

IUPACN-[5-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-2-(methylamino)acetamide
SMILESCNCC(=O)Nc1ncc(Cc2ccc(Cl)c(C(F)(F)F)c2)s1
InChIInChI=1S/C14H13ClF3N3OS/c1-19-7-12(22)21-13-20-6-9(23-13)4-8-2-3-11(15)10(5-8)14(16,17)18/h2-3,5-6,19H,4,7H2,1H3,(H,20,21,22)
InChIKeyAAAZRTKXUOUANE-UHFFFAOYSA-N
MW363.79 g/mol
LogP3.56
Rot. Bonds5

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

N-[5-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-2-(methylamino)acetamide (PubChem CID 166228141) has the molecular formula C14H13ClF3N3OS and a molecular weight of 363.79 g/mol. Its IUPAC name is N-[5-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[5-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-2-(methylamino)acetamide
PubChem CID166228141
Molecular FormulaC14H13ClF3N3OS
Molecular Weight363.79 g/mol
Exact Mass363.04
IUPAC NameN-[5-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-2-(methylamino)acetamide
SMILESCNCC(=O)Nc1ncc(Cc2ccc(Cl)c(C(F)(F)F)c2)s1
InChIInChI=1S/C14H13ClF3N3OS/c1-19-7-12(22)21-13-20-6-9(23-13)4-8-2-3-11(15)10(5-8)14(16,17)18/h2-3,5-6,19H,4,7H2,1H3,(H,20,21,22)
InChIKeyAAAZRTKXUOUANE-UHFFFAOYSA-N
XLogP3.56
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.79
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-3-cyclopentylpropanamide
CID 18836271
N-[5-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide
CID 17440607
N-[5-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3972040
(E)-N-(5-benzyl-1,3-thiazol-2-yl)-3-[4-chloro-3-(trifluoromethyl)phenyl]prop-2-enamide
CID 18827601
(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide
CID 18827729
N-[5-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-7-methoxy-1-benzoxepine-4-carboxamide
CID 20896704
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 18827810
N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide
CID 124938588
N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,5-dimethylphenoxy)acetamide
CID 18836200
N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(2-methylimidazol-1-yl)butanamide
CID 46970295
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide
CID 18827803
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 6488306

Frequently Asked Questions

What is the IUPAC name of N-[5-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-2-(methylamino)acetamide?
The IUPAC name of N-[5-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-2-(methylamino)acetamide (CID 166228141) is N-[5-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-2-(methylamino)acetamide.
What is the SMILES notation for N-[5-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-2-(methylamino)acetamide?
The canonical SMILES for N-[5-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-2-(methylamino)acetamide is CNCC(=O)Nc1ncc(Cc2ccc(Cl)c(C(F)(F)F)c2)s1.
What is the InChIKey of N-[5-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-2-(methylamino)acetamide?
The InChIKey is AAAZRTKXUOUANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF3N3OS/c1-19-7-12(22)21-13-20-6-9(23-13)4-8-2-3-11(15)10(5-8)14(16,17)18/h2-3,5-6,19H,4,7H2,1H3,(H,20,21,22).
What are the key properties of N-[5-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-2-(methylamino)acetamide?
N-[5-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-2-(methylamino)acetamide has a molecular weight of 363.79 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-2-(methylamino)acetamide is sourced from PubChem (CID 166228141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).