4-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]benzamide

C16H10F3N3OS — CID 22049682

IUPAC4-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]benzamide
SMILESNC(=O)c1ccc(-c2csc(-c3cnccc3C(F)(F)F)n2)cc1
InChIInChI=1S/C16H10F3N3OS/c17-16(18,19)12-5-6-21-7-11(12)15-22-13(8-24-15)9-1-3-10(4-2-9)14(20)23/h1-8H,(H2,20,23)
InChIKeyYVPNAIUIZFPOMS-UHFFFAOYSA-N
MW349.34 g/mol
LogP3.99
Rot. Bonds3

About 4-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]benzamide

4-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]benzamide (PubChem CID 22049682) has the molecular formula C16H10F3N3OS and a molecular weight of 349.34 g/mol. Its IUPAC name is 4-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]benzamide.

Molecular Properties

Compound Name4-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]benzamide
PubChem CID22049682
Molecular FormulaC16H10F3N3OS
Molecular Weight349.34 g/mol
Exact Mass349.05
IUPAC Name4-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]benzamide
SMILESNC(=O)c1ccc(-c2csc(-c3cnccc3C(F)(F)F)n2)cc1
InChIInChI=1S/C16H10F3N3OS/c17-16(18,19)12-5-6-21-7-11(12)15-22-13(8-24-15)9-1-3-10(4-2-9)14(20)23/h1-8H,(H2,20,23)
InChIKeyYVPNAIUIZFPOMS-UHFFFAOYSA-N
XLogP3.99
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]benzamide?
The IUPAC name of 4-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]benzamide (CID 22049682) is 4-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]benzamide.
What is the SMILES notation for 4-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]benzamide?
The canonical SMILES for 4-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]benzamide is NC(=O)c1ccc(-c2csc(-c3cnccc3C(F)(F)F)n2)cc1.
What is the InChIKey of 4-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]benzamide?
The InChIKey is YVPNAIUIZFPOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N3OS/c17-16(18,19)12-5-6-21-7-11(12)15-22-13(8-24-15)9-1-3-10(4-2-9)14(20)23/h1-8H,(H2,20,23).
What are the key properties of 4-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]benzamide?
4-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]benzamide has a molecular weight of 349.34 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]benzamide is sourced from PubChem (CID 22049682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).