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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Related Compounds

CID 24747710
CID 24747710
CID 22281768
CID 22281768
CID 71300285
CID 71300285
CID 79041783
CID 79041783
CID 54593555
CID 54593555
CID 24208911
CID 24208911
CID 24208983
CID 24208983
CID 122197580
CID 122197580
CID 139093194
CID 139093194
CID 139266948
CID 139266948
CID 68443136
CID 68443136
CID 86180634
CID 86180634

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).