2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide

C12H10F3N3O2S — CID 27377816

IUPAC2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide
SMILESNC(=O)Cc1csc(Nc2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C12H10F3N3O2S/c13-12(14,15)20-9-3-1-7(2-4-9)17-11-18-8(6-21-11)5-10(16)19/h1-4,6H,5H2,(H2,16,19)(H,17,18)
InChIKeySKSAFJKPIIMAFJ-UHFFFAOYSA-N
MW317.29 g/mol
LogP2.81
Rot. Bonds5

About 2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide

2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide (PubChem CID 27377816) has the molecular formula C12H10F3N3O2S and a molecular weight of 317.29 g/mol. Its IUPAC name is 2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound Name2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide
PubChem CID27377816
Molecular FormulaC12H10F3N3O2S
Molecular Weight317.29 g/mol
Exact Mass317.04
IUPAC Name2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide
SMILESNC(=O)Cc1csc(Nc2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C12H10F3N3O2S/c13-12(14,15)20-9-3-1-7(2-4-9)17-11-18-8(6-21-11)5-10(16)19/h1-4,6H,5H2,(H2,16,19)(H,17,18)
InChIKeySKSAFJKPIIMAFJ-UHFFFAOYSA-N
XLogP2.81
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.29
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-(4-ethoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate
CID 858301
Ethyl 2-(2-{[(3-methoxyanilino)carbonyl]amino}-1,3-thiazol-4-yl)acetate
CID 2813997
N*2*-(4-Methoxy-phenyl)-4'-methyl-[4,5']bithiazolyl-2,2'-diamine
CID 651724
N-(6-Trifluoromethoxy-benzothiazol-2-yl)-acetamide
CID 729673
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 2877296
Ethyl 2-((4-methoxyphenyl)amino)-1,3-thiazole-4-carboxylate
CID 2769692
1-(4-Methoxyphenyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea
CID 741732
N-{4-[(2-Methoxy-phenylcarbamoyl)-methyl]-thiazol-2-yl}-propionamide
CID 864703
1-{4-Methyl-2-[(4-phenoxyphenyl)amino]-1,3-thiazol-5-YL}ethanone hydrochloride
CID 867556
N-(2-Methoxy-phenyl)-2-[2-(3-phenyl-thioureido)-thiazol-4-yl]-acetamide
CID 1169035
N-(2-methoxyphenyl)-2-[2-[(4-methoxyphenyl)carbamothioylamino]-1,3-thiazol-4-yl]acetamide
CID 3168637
N-(2-fluorophenyl)-2-(2-(3-(2-methoxyphenyl)ureido)thiazol-4-yl)acetamide
CID 18567656

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide?
The IUPAC name of 2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide (CID 27377816) is 2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for 2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for 2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide is NC(=O)Cc1csc(Nc2ccc(OC(F)(F)F)cc2)n1.
What is the InChIKey of 2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide?
The InChIKey is SKSAFJKPIIMAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O2S/c13-12(14,15)20-9-3-1-7(2-4-9)17-11-18-8(6-21-11)5-10(16)19/h1-4,6H,5H2,(H2,16,19)(H,17,18).
What are the key properties of 2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide?
2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide has a molecular weight of 317.29 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 27377816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).