6-methyl-N-propyl-5-(trifluoromethyl)thieno[3,2-b]pyridin-7-amine

C12H13F3N2S — CID 66355406

IUPAC6-methyl-N-propyl-5-(trifluoromethyl)thieno[3,2-b]pyridin-7-amine
SMILESCCCNc1c(C)c(C(F)(F)F)nc2ccsc12
InChIInChI=1S/C12H13F3N2S/c1-3-5-16-9-7(2)11(12(13,14)15)17-8-4-6-18-10(8)9/h4,6H,3,5H2,1-2H3,(H,16,17)
InChIKeySIFJSQMPOKRRDC-UHFFFAOYSA-N
MW274.31 g/mol
LogP4.45
Rot. Bonds3

About 6-methyl-N-propyl-5-(trifluoromethyl)thieno[3,2-b]pyridin-7-amine

6-methyl-N-propyl-5-(trifluoromethyl)thieno[3,2-b]pyridin-7-amine (PubChem CID 66355406) has the molecular formula C12H13F3N2S and a molecular weight of 274.31 g/mol. Its IUPAC name is 6-methyl-N-propyl-5-(trifluoromethyl)thieno[3,2-b]pyridin-7-amine.

Molecular Properties

Compound Name6-methyl-N-propyl-5-(trifluoromethyl)thieno[3,2-b]pyridin-7-amine
PubChem CID66355406
Molecular FormulaC12H13F3N2S
Molecular Weight274.31 g/mol
Exact Mass274.08
IUPAC Name6-methyl-N-propyl-5-(trifluoromethyl)thieno[3,2-b]pyridin-7-amine
SMILESCCCNc1c(C)c(C(F)(F)F)nc2ccsc12
InChIInChI=1S/C12H13F3N2S/c1-3-5-16-9-7(2)11(12(13,14)15)17-8-4-6-18-10(8)9/h4,6H,3,5H2,1-2H3,(H,16,17)
InChIKeySIFJSQMPOKRRDC-UHFFFAOYSA-N
XLogP4.45
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-propyl-5-(trifluoromethyl)thieno[3,2-b]pyridin-7-amine?
The IUPAC name of 6-methyl-N-propyl-5-(trifluoromethyl)thieno[3,2-b]pyridin-7-amine (CID 66355406) is 6-methyl-N-propyl-5-(trifluoromethyl)thieno[3,2-b]pyridin-7-amine.
What is the SMILES notation for 6-methyl-N-propyl-5-(trifluoromethyl)thieno[3,2-b]pyridin-7-amine?
The canonical SMILES for 6-methyl-N-propyl-5-(trifluoromethyl)thieno[3,2-b]pyridin-7-amine is CCCNc1c(C)c(C(F)(F)F)nc2ccsc12.
What is the InChIKey of 6-methyl-N-propyl-5-(trifluoromethyl)thieno[3,2-b]pyridin-7-amine?
The InChIKey is SIFJSQMPOKRRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2S/c1-3-5-16-9-7(2)11(12(13,14)15)17-8-4-6-18-10(8)9/h4,6H,3,5H2,1-2H3,(H,16,17).
What are the key properties of 6-methyl-N-propyl-5-(trifluoromethyl)thieno[3,2-b]pyridin-7-amine?
6-methyl-N-propyl-5-(trifluoromethyl)thieno[3,2-b]pyridin-7-amine has a molecular weight of 274.31 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-propyl-5-(trifluoromethyl)thieno[3,2-b]pyridin-7-amine is sourced from PubChem (CID 66355406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).