7-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]thieno[3,2-b]pyridine

C14H16F3N3S — CID 133431582

IUPAC7-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]thieno[3,2-b]pyridine
SMILESCC1CN(c2ccnc3ccsc23)CCN1CC(F)(F)F
InChIInChI=1S/C14H16F3N3S/c1-10-8-19(5-6-20(10)9-14(15,16)17)12-2-4-18-11-3-7-21-13(11)12/h2-4,7,10H,5-6,8-9H2,1H3
InChIKeyRZCWXOPFROQOGW-UHFFFAOYSA-N
MW315.36 g/mol
LogP3.37
Rot. Bonds2

About 7-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]thieno[3,2-b]pyridine

7-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]thieno[3,2-b]pyridine (PubChem CID 133431582) has the molecular formula C14H16F3N3S and a molecular weight of 315.36 g/mol. Its IUPAC name is 7-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]thieno[3,2-b]pyridine.

Molecular Properties

Compound Name7-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]thieno[3,2-b]pyridine
PubChem CID133431582
Molecular FormulaC14H16F3N3S
Molecular Weight315.36 g/mol
Exact Mass315.10
IUPAC Name7-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]thieno[3,2-b]pyridine
SMILESCC1CN(c2ccnc3ccsc23)CCN1CC(F)(F)F
InChIInChI=1S/C14H16F3N3S/c1-10-8-19(5-6-20(10)9-14(15,16)17)12-2-4-18-11-3-7-21-13(11)12/h2-4,7,10H,5-6,8-9H2,1H3
InChIKeyRZCWXOPFROQOGW-UHFFFAOYSA-N
XLogP3.37
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]thieno[3,2-b]pyridine?
The IUPAC name of 7-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]thieno[3,2-b]pyridine (CID 133431582) is 7-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]thieno[3,2-b]pyridine.
What is the SMILES notation for 7-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]thieno[3,2-b]pyridine?
The canonical SMILES for 7-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]thieno[3,2-b]pyridine is CC1CN(c2ccnc3ccsc23)CCN1CC(F)(F)F.
What is the InChIKey of 7-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]thieno[3,2-b]pyridine?
The InChIKey is RZCWXOPFROQOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3S/c1-10-8-19(5-6-20(10)9-14(15,16)17)12-2-4-18-11-3-7-21-13(11)12/h2-4,7,10H,5-6,8-9H2,1H3.
What are the key properties of 7-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]thieno[3,2-b]pyridine?
7-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]thieno[3,2-b]pyridine has a molecular weight of 315.36 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]thieno[3,2-b]pyridine is sourced from PubChem (CID 133431582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).