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

C14H13F3N2OS — CID 86836135

IUPACN-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCc1ncc(CNC(=O)Cc2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C14H13F3N2OS/c1-9-18-7-12(21-9)8-19-13(20)6-10-2-4-11(5-3-10)14(15,16)17/h2-5,7H,6,8H2,1H3,(H,19,20)
InChIKeyQMLUNNIJIZEROY-UHFFFAOYSA-N
MW314.33 g/mol
LogP3.33
Rot. Bonds4

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

N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 86836135) has the molecular formula C14H13F3N2OS and a molecular weight of 314.33 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID86836135
Molecular FormulaC14H13F3N2OS
Molecular Weight314.33 g/mol
Exact Mass314.07
IUPAC NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCc1ncc(CNC(=O)Cc2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C14H13F3N2OS/c1-9-18-7-12(21-9)8-19-13(20)6-10-2-4-11(5-3-10)14(15,16)17/h2-5,7H,6,8H2,1H3,(H,19,20)
InChIKeyQMLUNNIJIZEROY-UHFFFAOYSA-N
XLogP3.33
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 39855034
2-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[[4-(trifluoromethyl)phenyl]methyl]guanidine;hydroiodide
CID 111420952
N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 110717697
2-(2-hydroxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 78916971
2-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052812
3,3-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 86825746
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 86836166
2-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 61280250
2-(3-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 86825840
4-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 39855026
N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 34360937
2-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-phenylpropanamide;dihydrochloride
CID 120595863

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide (CID 86836135) is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide is Cc1ncc(CNC(=O)Cc2ccc(C(F)(F)F)cc2)s1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is QMLUNNIJIZEROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2OS/c1-9-18-7-12(21-9)8-19-13(20)6-10-2-4-11(5-3-10)14(15,16)17/h2-5,7H,6,8H2,1H3,(H,19,20).
What are the key properties of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 314.33 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 86836135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).