(4-methylpiperazin-1-yl)-[4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanone

C15H16F3N3OS — CID 122417936

IUPAC(4-methylpiperazin-1-yl)-[4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanone
SMILESCc1cc(C(F)(F)F)nc2sc(C(=O)N3CCN(C)CC3)cc12
InChIInChI=1S/C15H16F3N3OS/c1-9-7-12(15(16,17)18)19-13-10(9)8-11(23-13)14(22)21-5-3-20(2)4-6-21/h7-8H,3-6H2,1-2H3
InChIKeyMIUKVFJLSKXXDQ-UHFFFAOYSA-N
MW343.37 g/mol
LogP3.01
Rot. Bonds1

About (4-methylpiperazin-1-yl)-[4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanone

(4-methylpiperazin-1-yl)-[4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanone (PubChem CID 122417936) has the molecular formula C15H16F3N3OS and a molecular weight of 343.37 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanone
PubChem CID122417936
Molecular FormulaC15H16F3N3OS
Molecular Weight343.37 g/mol
Exact Mass343.10
IUPAC Name(4-methylpiperazin-1-yl)-[4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanone
SMILESCc1cc(C(F)(F)F)nc2sc(C(=O)N3CCN(C)CC3)cc12
InChIInChI=1S/C15H16F3N3OS/c1-9-7-12(15(16,17)18)19-13-10(9)8-11(23-13)14(22)21-5-3-20(2)4-6-21/h7-8H,3-6H2,1-2H3
InChIKeyMIUKVFJLSKXXDQ-UHFFFAOYSA-N
XLogP3.01
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanone (CID 122417936) is (4-methylpiperazin-1-yl)-[4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanone is Cc1cc(C(F)(F)F)nc2sc(C(=O)N3CCN(C)CC3)cc12.
What is the InChIKey of (4-methylpiperazin-1-yl)-[4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanone?
The InChIKey is MIUKVFJLSKXXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3OS/c1-9-7-12(15(16,17)18)19-13-10(9)8-11(23-13)14(22)21-5-3-20(2)4-6-21/h7-8H,3-6H2,1-2H3.
What are the key properties of (4-methylpiperazin-1-yl)-[4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanone?
(4-methylpiperazin-1-yl)-[4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanone has a molecular weight of 343.37 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanone is sourced from PubChem (CID 122417936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).