2,2,2-trifluoroacetic acid;N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide

C12H7F6N3O3S — CID 56587858

IUPAC2,2,2-trifluoroacetic acid;N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
SMILESO=C(Nc1nc(C(F)(F)F)cs1)c1ccccn1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H6F3N3OS.C2HF3O2/c11-10(12,13)7-5-18-9(15-7)16-8(17)6-3-1-2-4-14-6;3-2(4,5)1(6)7/h1-5H,(H,15,16,17);(H,6,7)
InChIKeyWJFTZVKTPOSFAZ-UHFFFAOYSA-N
MW387.26 g/mol
LogP3.44
Rot. Bonds2

About 2,2,2-trifluoroacetic acid;N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide

2,2,2-trifluoroacetic acid;N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide (PubChem CID 56587858) has the molecular formula C12H7F6N3O3S and a molecular weight of 387.26 g/mol. Its IUPAC name is 2,2,2-trifluoroacetic acid;N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name2,2,2-trifluoroacetic acid;N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
PubChem CID56587858
Molecular FormulaC12H7F6N3O3S
Molecular Weight387.26 g/mol
Exact Mass387.01
IUPAC Name2,2,2-trifluoroacetic acid;N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
SMILESO=C(Nc1nc(C(F)(F)F)cs1)c1ccccn1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H6F3N3OS.C2HF3O2/c11-10(12,13)7-5-18-9(15-7)16-8(17)6-3-1-2-4-14-6;3-2(4,5)1(6)7/h1-5H,(H,15,16,17);(H,6,7)
InChIKeyWJFTZVKTPOSFAZ-UHFFFAOYSA-N
XLogP3.44
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.26
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroacetic acid;N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The IUPAC name of 2,2,2-trifluoroacetic acid;N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide (CID 56587858) is 2,2,2-trifluoroacetic acid;N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 2,2,2-trifluoroacetic acid;N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 2,2,2-trifluoroacetic acid;N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide is O=C(Nc1nc(C(F)(F)F)cs1)c1ccccn1.O=C(O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroacetic acid;N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The InChIKey is WJFTZVKTPOSFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3N3OS.C2HF3O2/c11-10(12,13)7-5-18-9(15-7)16-8(17)6-3-1-2-4-14-6;3-2(4,5)1(6)7/h1-5H,(H,15,16,17);(H,6,7).
What are the key properties of 2,2,2-trifluoroacetic acid;N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide?
2,2,2-trifluoroacetic acid;N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide has a molecular weight of 387.26 g/mol, XLogP of 3.44, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroacetic acid;N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 56587858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).