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

C18H14F3N3OS — CID 16738864

IUPAC2-[4-phenyl-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]acetamide
SMILESNC(=O)Cc1sc(Nc2cccc(C(F)(F)F)c2)nc1-c1ccccc1
InChIInChI=1S/C18H14F3N3OS/c19-18(20,21)12-7-4-8-13(9-12)23-17-24-16(11-5-2-1-3-6-11)14(26-17)10-15(22)25/h1-9H,10H2,(H2,22,25)(H,23,24)
InChIKeyMLZZSKQNDVDXTC-UHFFFAOYSA-N
MW377.39 g/mol
LogP4.60
Rot. Bonds5

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

2-[4-phenyl-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]acetamide (PubChem CID 16738864) has the molecular formula C18H14F3N3OS and a molecular weight of 377.39 g/mol. Its IUPAC name is 2-[4-phenyl-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]acetamide.

Molecular Properties

Compound Name2-[4-phenyl-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]acetamide
PubChem CID16738864
Molecular FormulaC18H14F3N3OS
Molecular Weight377.39 g/mol
Exact Mass377.08
IUPAC Name2-[4-phenyl-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]acetamide
SMILESNC(=O)Cc1sc(Nc2cccc(C(F)(F)F)c2)nc1-c1ccccc1
InChIInChI=1S/C18H14F3N3OS/c19-18(20,21)12-7-4-8-13(9-12)23-17-24-16(11-5-2-1-3-6-11)14(26-17)10-15(22)25/h1-9H,10H2,(H2,22,25)(H,23,24)
InChIKeyMLZZSKQNDVDXTC-UHFFFAOYSA-N
XLogP4.60
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-phenyl-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]acetamide?
The IUPAC name of 2-[4-phenyl-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]acetamide (CID 16738864) is 2-[4-phenyl-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]acetamide.
What is the SMILES notation for 2-[4-phenyl-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]acetamide?
The canonical SMILES for 2-[4-phenyl-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]acetamide is NC(=O)Cc1sc(Nc2cccc(C(F)(F)F)c2)nc1-c1ccccc1.
What is the InChIKey of 2-[4-phenyl-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]acetamide?
The InChIKey is MLZZSKQNDVDXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3OS/c19-18(20,21)12-7-4-8-13(9-12)23-17-24-16(11-5-2-1-3-6-11)14(26-17)10-15(22)25/h1-9H,10H2,(H2,22,25)(H,23,24).
What are the key properties of 2-[4-phenyl-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]acetamide?
2-[4-phenyl-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]acetamide has a molecular weight of 377.39 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-phenyl-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 16738864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).