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

C15H13ClF3N3O2S — CID 89390536

IUPAC2-[2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-N-(2-oxopropyl)acetamide
SMILESCC(=O)CNC(=O)Cc1csc(Nc2ccc(Cl)c(C(F)(F)F)c2)n1
InChIInChI=1S/C15H13ClF3N3O2S/c1-8(23)6-20-13(24)5-10-7-25-14(22-10)21-9-2-3-12(16)11(4-9)15(17,18)19/h2-4,7H,5-6H2,1H3,(H,20,24)(H,21,22)
InChIKeyHWRVVJMWVZNJSY-UHFFFAOYSA-N
MW391.80 g/mol
LogP3.81
Rot. Bonds6

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

2-[2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-N-(2-oxopropyl)acetamide (PubChem CID 89390536) has the molecular formula C15H13ClF3N3O2S and a molecular weight of 391.80 g/mol. Its IUPAC name is 2-[2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-N-(2-oxopropyl)acetamide.

Molecular Properties

Compound Name2-[2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-N-(2-oxopropyl)acetamide
PubChem CID89390536
Molecular FormulaC15H13ClF3N3O2S
Molecular Weight391.80 g/mol
Exact Mass391.04
IUPAC Name2-[2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-N-(2-oxopropyl)acetamide
SMILESCC(=O)CNC(=O)Cc1csc(Nc2ccc(Cl)c(C(F)(F)F)c2)n1
InChIInChI=1S/C15H13ClF3N3O2S/c1-8(23)6-20-13(24)5-10-7-25-14(22-10)21-9-2-3-12(16)11(4-9)15(17,18)19/h2-4,7H,5-6H2,1H3,(H,20,24)(H,21,22)
InChIKeyHWRVVJMWVZNJSY-UHFFFAOYSA-N
XLogP3.81
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.80
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetyl]amino]acetic acid
CID 59802435
2-[2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-1-morpholin-4-ylethanone
CID 59802440
2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxylic acid
CID 59802438
2-[4-chloro-N-[2-[2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetyl]-3-(trifluoromethyl)anilino]-2-[2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetic acid
CID 87750032
N-methyl-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide
CID 30859922
N-(3-chloro-4-fluorophenyl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide
CID 30940704
ethyl 2-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]acetate
CID 75176428
1-[2-[4-chloro-3-(trifluoromethyl)anilino]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 118732493
methyl 2-[2-(3-amino-4-chloroanilino)-1,3-thiazol-4-yl]acetate
CID 82059201
ethyl 2-[2-(4-chloro-3-fluoroanilino)-1,3-thiazol-4-yl]acetate
CID 80575899
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 27667849
2-acetamido-N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]acetamide
CID 60559581

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-N-(2-oxopropyl)acetamide?
The IUPAC name of 2-[2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-N-(2-oxopropyl)acetamide (CID 89390536) is 2-[2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-N-(2-oxopropyl)acetamide.
What is the SMILES notation for 2-[2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-N-(2-oxopropyl)acetamide?
The canonical SMILES for 2-[2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-N-(2-oxopropyl)acetamide is CC(=O)CNC(=O)Cc1csc(Nc2ccc(Cl)c(C(F)(F)F)c2)n1.
What is the InChIKey of 2-[2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-N-(2-oxopropyl)acetamide?
The InChIKey is HWRVVJMWVZNJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3N3O2S/c1-8(23)6-20-13(24)5-10-7-25-14(22-10)21-9-2-3-12(16)11(4-9)15(17,18)19/h2-4,7H,5-6H2,1H3,(H,20,24)(H,21,22).
What are the key properties of 2-[2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-N-(2-oxopropyl)acetamide?
2-[2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-N-(2-oxopropyl)acetamide has a molecular weight of 391.80 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-N-(2-oxopropyl)acetamide is sourced from PubChem (CID 89390536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).