N-[cyano-[3-(trifluoromethyl)thieno[2,3-c]pyridin-4-yl]methyl]formamide

C11H6F3N3OS — CID 167521716

IUPACN-[cyano-[3-(trifluoromethyl)thieno[2,3-c]pyridin-4-yl]methyl]formamide
SMILESN#CC(NC=O)c1cncc2scc(C(F)(F)F)c12
InChIInChI=1S/C11H6F3N3OS/c12-11(13,14)7-4-19-9-3-16-2-6(10(7)9)8(1-15)17-5-18/h2-5,8H,(H,17,18)
InChIKeyLEVYMSYPAMZXMW-UHFFFAOYSA-N
MW285.25 g/mol
LogP2.63
Rot. Bonds3

About N-[cyano-[3-(trifluoromethyl)thieno[2,3-c]pyridin-4-yl]methyl]formamide

N-[cyano-[3-(trifluoromethyl)thieno[2,3-c]pyridin-4-yl]methyl]formamide (PubChem CID 167521716) has the molecular formula C11H6F3N3OS and a molecular weight of 285.25 g/mol. Its IUPAC name is N-[cyano-[3-(trifluoromethyl)thieno[2,3-c]pyridin-4-yl]methyl]formamide.

Molecular Properties

Compound NameN-[cyano-[3-(trifluoromethyl)thieno[2,3-c]pyridin-4-yl]methyl]formamide
PubChem CID167521716
Molecular FormulaC11H6F3N3OS
Molecular Weight285.25 g/mol
Exact Mass285.02
IUPAC NameN-[cyano-[3-(trifluoromethyl)thieno[2,3-c]pyridin-4-yl]methyl]formamide
SMILESN#CC(NC=O)c1cncc2scc(C(F)(F)F)c12
InChIInChI=1S/C11H6F3N3OS/c12-11(13,14)7-4-19-9-3-16-2-6(10(7)9)8(1-15)17-5-18/h2-5,8H,(H,17,18)
InChIKeyLEVYMSYPAMZXMW-UHFFFAOYSA-N
XLogP2.63
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.25
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[cyano-[3-(trifluoromethyl)thieno[2,3-c]pyridin-4-yl]methyl]formamide?
The IUPAC name of N-[cyano-[3-(trifluoromethyl)thieno[2,3-c]pyridin-4-yl]methyl]formamide (CID 167521716) is N-[cyano-[3-(trifluoromethyl)thieno[2,3-c]pyridin-4-yl]methyl]formamide.
What is the SMILES notation for N-[cyano-[3-(trifluoromethyl)thieno[2,3-c]pyridin-4-yl]methyl]formamide?
The canonical SMILES for N-[cyano-[3-(trifluoromethyl)thieno[2,3-c]pyridin-4-yl]methyl]formamide is N#CC(NC=O)c1cncc2scc(C(F)(F)F)c12.
What is the InChIKey of N-[cyano-[3-(trifluoromethyl)thieno[2,3-c]pyridin-4-yl]methyl]formamide?
The InChIKey is LEVYMSYPAMZXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3N3OS/c12-11(13,14)7-4-19-9-3-16-2-6(10(7)9)8(1-15)17-5-18/h2-5,8H,(H,17,18).
What are the key properties of N-[cyano-[3-(trifluoromethyl)thieno[2,3-c]pyridin-4-yl]methyl]formamide?
N-[cyano-[3-(trifluoromethyl)thieno[2,3-c]pyridin-4-yl]methyl]formamide has a molecular weight of 285.25 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano-[3-(trifluoromethyl)thieno[2,3-c]pyridin-4-yl]methyl]formamide is sourced from PubChem (CID 167521716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).