2-[(2S)-oxolan-2-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide

C14H12F3N3O2S — CID 99819989

IUPAC2-[(2S)-oxolan-2-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccn1)c1csc([C@@H]2CCCO2)n1
InChIInChI=1S/C14H12F3N3O2S/c15-14(16,17)8-3-4-18-11(6-8)20-12(21)9-7-23-13(19-9)10-2-1-5-22-10/h3-4,6-7,10H,1-2,5H2,(H,18,20,21)/t10-/m0/s1
InChIKeyTZKOYIPPEKNHCN-JTQLQIEISA-N
MW343.33 g/mol
LogP3.66
Rot. Bonds3

About 2-[(2S)-oxolan-2-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide

2-[(2S)-oxolan-2-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide (PubChem CID 99819989) has the molecular formula C14H12F3N3O2S and a molecular weight of 343.33 g/mol. Its IUPAC name is 2-[(2S)-oxolan-2-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(2S)-oxolan-2-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide
PubChem CID99819989
Molecular FormulaC14H12F3N3O2S
Molecular Weight343.33 g/mol
Exact Mass343.06
IUPAC Name2-[(2S)-oxolan-2-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccn1)c1csc([C@@H]2CCCO2)n1
InChIInChI=1S/C14H12F3N3O2S/c15-14(16,17)8-3-4-18-11(6-8)20-12(21)9-7-23-13(19-9)10-2-1-5-22-10/h3-4,6-7,10H,1-2,5H2,(H,18,20,21)/t10-/m0/s1
InChIKeyTZKOYIPPEKNHCN-JTQLQIEISA-N
XLogP3.66
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-oxolan-2-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(2S)-oxolan-2-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide (CID 99819989) is 2-[(2S)-oxolan-2-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(2S)-oxolan-2-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(2S)-oxolan-2-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide is O=C(Nc1cc(C(F)(F)F)ccn1)c1csc([C@@H]2CCCO2)n1.
What is the InChIKey of 2-[(2S)-oxolan-2-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide?
The InChIKey is TZKOYIPPEKNHCN-JTQLQIEISA-N. The full InChI is InChI=1S/C14H12F3N3O2S/c15-14(16,17)8-3-4-18-11(6-8)20-12(21)9-7-23-13(19-9)10-2-1-5-22-10/h3-4,6-7,10H,1-2,5H2,(H,18,20,21)/t10-/m0/s1.
What are the key properties of 2-[(2S)-oxolan-2-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide?
2-[(2S)-oxolan-2-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide has a molecular weight of 343.33 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-oxolan-2-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 99819989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).