N-[5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide

C16H10F3N3OS — CID 2988990

IUPACN-[5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
SMILESO=C(Nc1nc(C(F)(F)F)c(-c2ccccc2)s1)c1cccnc1
InChIInChI=1S/C16H10F3N3OS/c17-16(18,19)13-12(10-5-2-1-3-6-10)24-15(21-13)22-14(23)11-7-4-8-20-9-11/h1-9H,(H,21,22,23)
InChIKeyAZXWOEKJGXKDTF-UHFFFAOYSA-N
MW349.34 g/mol
LogP4.48
Rot. Bonds3

About N-[5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide

N-[5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide (PubChem CID 2988990) has the molecular formula C16H10F3N3OS and a molecular weight of 349.34 g/mol. Its IUPAC name is N-[5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
PubChem CID2988990
Molecular FormulaC16H10F3N3OS
Molecular Weight349.34 g/mol
Exact Mass349.05
IUPAC NameN-[5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
SMILESO=C(Nc1nc(C(F)(F)F)c(-c2ccccc2)s1)c1cccnc1
InChIInChI=1S/C16H10F3N3OS/c17-16(18,19)13-12(10-5-2-1-3-6-10)24-15(21-13)22-14(23)11-7-4-8-20-9-11/h1-9H,(H,21,22,23)
InChIKeyAZXWOEKJGXKDTF-UHFFFAOYSA-N
XLogP4.48
TPSA54.88 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 ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The IUPAC name of N-[5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide (CID 2988990) is N-[5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide is O=C(Nc1nc(C(F)(F)F)c(-c2ccccc2)s1)c1cccnc1.
What is the InChIKey of N-[5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The InChIKey is AZXWOEKJGXKDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N3OS/c17-16(18,19)13-12(10-5-2-1-3-6-10)24-15(21-13)22-14(23)11-7-4-8-20-9-11/h1-9H,(H,21,22,23).
What are the key properties of N-[5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
N-[5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide has a molecular weight of 349.34 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 2988990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).