N-ethyl-2,2,2-trifluoro-N-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide

C18H14F3N3OS — CID 59580833

IUPACN-ethyl-2,2,2-trifluoro-N-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide
SMILESCCN(C(=O)C(F)(F)F)c1sc(-c2cccnc2)nc1-c1ccccc1
InChIInChI=1S/C18H14F3N3OS/c1-2-24(17(25)18(19,20)21)16-14(12-7-4-3-5-8-12)23-15(26-16)13-9-6-10-22-11-13/h3-11H,2H2,1H3
InChIKeyHIHZQUUQUWBJNW-UHFFFAOYSA-N
MW377.39 g/mol
LogP4.79
Rot. Bonds4

About N-ethyl-2,2,2-trifluoro-N-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide

N-ethyl-2,2,2-trifluoro-N-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide (PubChem CID 59580833) has the molecular formula C18H14F3N3OS and a molecular weight of 377.39 g/mol. Its IUPAC name is N-ethyl-2,2,2-trifluoro-N-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-2,2,2-trifluoro-N-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide
PubChem CID59580833
Molecular FormulaC18H14F3N3OS
Molecular Weight377.39 g/mol
Exact Mass377.08
IUPAC NameN-ethyl-2,2,2-trifluoro-N-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide
SMILESCCN(C(=O)C(F)(F)F)c1sc(-c2cccnc2)nc1-c1ccccc1
InChIInChI=1S/C18H14F3N3OS/c1-2-24(17(25)18(19,20)21)16-14(12-7-4-3-5-8-12)23-15(26-16)13-9-6-10-22-11-13/h3-11H,2H2,1H3
InChIKeyHIHZQUUQUWBJNW-UHFFFAOYSA-N
XLogP4.79
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2,2-trifluoro-N-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-ethyl-2,2,2-trifluoro-N-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide (CID 59580833) is N-ethyl-2,2,2-trifluoro-N-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-ethyl-2,2,2-trifluoro-N-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-ethyl-2,2,2-trifluoro-N-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide is CCN(C(=O)C(F)(F)F)c1sc(-c2cccnc2)nc1-c1ccccc1.
What is the InChIKey of N-ethyl-2,2,2-trifluoro-N-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide?
The InChIKey is HIHZQUUQUWBJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3OS/c1-2-24(17(25)18(19,20)21)16-14(12-7-4-3-5-8-12)23-15(26-16)13-9-6-10-22-11-13/h3-11H,2H2,1H3.
What are the key properties of N-ethyl-2,2,2-trifluoro-N-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide?
N-ethyl-2,2,2-trifluoro-N-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide has a molecular weight of 377.39 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2,2-trifluoro-N-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 59580833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).