2-methoxy-6-oxo-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyridine-3-carbonitrile

C12H8F3N3O2S — CID 122142284

IUPAC2-methoxy-6-oxo-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyridine-3-carbonitrile
SMILESCOc1c(C#N)ccc(=O)n1Cc1nc(C(F)(F)F)cs1
InChIInChI=1S/C12H8F3N3O2S/c1-20-11-7(4-16)2-3-10(19)18(11)5-9-17-8(6-21-9)12(13,14)15/h2-3,6H,5H2,1H3
InChIKeyDTQYLTDUCGECQZ-UHFFFAOYSA-N
MW315.28 g/mol
LogP2.25
Rot. Bonds3

About 2-methoxy-6-oxo-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyridine-3-carbonitrile

2-methoxy-6-oxo-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyridine-3-carbonitrile (PubChem CID 122142284) has the molecular formula C12H8F3N3O2S and a molecular weight of 315.28 g/mol. Its IUPAC name is 2-methoxy-6-oxo-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-methoxy-6-oxo-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyridine-3-carbonitrile
PubChem CID122142284
Molecular FormulaC12H8F3N3O2S
Molecular Weight315.28 g/mol
Exact Mass315.03
IUPAC Name2-methoxy-6-oxo-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyridine-3-carbonitrile
SMILESCOc1c(C#N)ccc(=O)n1Cc1nc(C(F)(F)F)cs1
InChIInChI=1S/C12H8F3N3O2S/c1-20-11-7(4-16)2-3-10(19)18(11)5-9-17-8(6-21-9)12(13,14)15/h2-3,6H,5H2,1H3
InChIKeyDTQYLTDUCGECQZ-UHFFFAOYSA-N
XLogP2.25
TPSA67.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.28
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-oxo-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyridine-3-carbonitrile?
The IUPAC name of 2-methoxy-6-oxo-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyridine-3-carbonitrile (CID 122142284) is 2-methoxy-6-oxo-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-methoxy-6-oxo-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyridine-3-carbonitrile?
The canonical SMILES for 2-methoxy-6-oxo-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyridine-3-carbonitrile is COc1c(C#N)ccc(=O)n1Cc1nc(C(F)(F)F)cs1.
What is the InChIKey of 2-methoxy-6-oxo-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyridine-3-carbonitrile?
The InChIKey is DTQYLTDUCGECQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N3O2S/c1-20-11-7(4-16)2-3-10(19)18(11)5-9-17-8(6-21-9)12(13,14)15/h2-3,6H,5H2,1H3.
What are the key properties of 2-methoxy-6-oxo-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyridine-3-carbonitrile?
2-methoxy-6-oxo-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyridine-3-carbonitrile has a molecular weight of 315.28 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-oxo-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyridine-3-carbonitrile is sourced from PubChem (CID 122142284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).