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

C16H12F3N3O2S — CID 56552913

IUPACN-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)anilino]acetamide
SMILESO=C(CNc1cccc(C(F)(F)F)c1)Nc1nc(-c2ccco2)cs1
InChIInChI=1S/C16H12F3N3O2S/c17-16(18,19)10-3-1-4-11(7-10)20-8-14(23)22-15-21-12(9-25-15)13-5-2-6-24-13/h1-7,9,20H,8H2,(H,21,22,23)
InChIKeyXZRIYRFDBHNNBN-UHFFFAOYSA-N
MW367.35 g/mol
LogP4.47
Rot. Bonds5

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

N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)anilino]acetamide (PubChem CID 56552913) has the molecular formula C16H12F3N3O2S and a molecular weight of 367.35 g/mol. Its IUPAC name is N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)anilino]acetamide
PubChem CID56552913
Molecular FormulaC16H12F3N3O2S
Molecular Weight367.35 g/mol
Exact Mass367.06
IUPAC NameN-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)anilino]acetamide
SMILESO=C(CNc1cccc(C(F)(F)F)c1)Nc1nc(-c2ccco2)cs1
InChIInChI=1S/C16H12F3N3O2S/c17-16(18,19)10-3-1-4-11(7-10)20-8-14(23)22-15-21-12(9-25-15)13-5-2-6-24-13/h1-7,9,20H,8H2,(H,21,22,23)
InChIKeyXZRIYRFDBHNNBN-UHFFFAOYSA-N
XLogP4.47
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.35
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide
CID 54833567
2-(cyclopropylmethylamino)-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 119708085
N-(3-methylphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7409922
N-(3,4-dichlorophenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7922707
N-(furan-2-ylmethyl)-3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide
CID 54833538
N-[5-(thiophen-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56545352
N-(1-thiophen-2-ylethyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 86908674
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56540384
2-(furan-2-yl)-N'-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbohydrazide
CID 55554329
2-[3-(trifluoromethyl)anilino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 86908675
N-[[5-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
CID 31978592
N-(3,4-difluorophenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7409925

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)anilino]acetamide?
The IUPAC name of N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)anilino]acetamide (CID 56552913) is N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)anilino]acetamide is O=C(CNc1cccc(C(F)(F)F)c1)Nc1nc(-c2ccco2)cs1.
What is the InChIKey of N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)anilino]acetamide?
The InChIKey is XZRIYRFDBHNNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O2S/c17-16(18,19)10-3-1-4-11(7-10)20-8-14(23)22-15-21-12(9-25-15)13-5-2-6-24-13/h1-7,9,20H,8H2,(H,21,22,23).
What are the key properties of N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)anilino]acetamide?
N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)anilino]acetamide has a molecular weight of 367.35 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 56552913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).