4-[[[6-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3H-1,3-thiazol-2-one

C10H8F3N3OS — CID 114181590

IUPAC4-[[[6-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNc2cccc(C(F)(F)F)n2)cs1
InChIInChI=1S/C10H8F3N3OS/c11-10(12,13)7-2-1-3-8(16-7)14-4-6-5-18-9(17)15-6/h1-3,5H,4H2,(H,14,16)(H,15,17)
InChIKeyFSNVOJGZCCYGCU-UHFFFAOYSA-N
MW275.26 g/mol
LogP2.46
Rot. Bonds3

About 4-[[[6-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3H-1,3-thiazol-2-one

4-[[[6-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 114181590) has the molecular formula C10H8F3N3OS and a molecular weight of 275.26 g/mol. Its IUPAC name is 4-[[[6-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[[6-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID114181590
Molecular FormulaC10H8F3N3OS
Molecular Weight275.26 g/mol
Exact Mass275.03
IUPAC Name4-[[[6-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNc2cccc(C(F)(F)F)n2)cs1
InChIInChI=1S/C10H8F3N3OS/c11-10(12,13)7-2-1-3-8(16-7)14-4-6-5-18-9(17)15-6/h1-3,5H,4H2,(H,14,16)(H,15,17)
InChIKeyFSNVOJGZCCYGCU-UHFFFAOYSA-N
XLogP2.46
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[[6-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[[6-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3H-1,3-thiazol-2-one (CID 114181590) is 4-[[[6-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[[6-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[[6-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(CNc2cccc(C(F)(F)F)n2)cs1.
What is the InChIKey of 4-[[[6-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is FSNVOJGZCCYGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3OS/c11-10(12,13)7-2-1-3-8(16-7)14-4-6-5-18-9(17)15-6/h1-3,5H,4H2,(H,14,16)(H,15,17).
What are the key properties of 4-[[[6-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3H-1,3-thiazol-2-one?
4-[[[6-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 275.26 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[6-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 114181590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).