2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide

C13H12F3N3OS2 — CID 59054055

IUPAC2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(CN1CCc2sccc2C1)Nc1ncc(C(F)(F)F)s1
InChIInChI=1S/C13H12F3N3OS2/c14-13(15,16)10-5-17-12(22-10)18-11(20)7-19-3-1-9-8(6-19)2-4-21-9/h2,4-5H,1,3,6-7H2,(H,17,18,20)
InChIKeyVCHUOOJQXRDINC-UHFFFAOYSA-N
MW347.39 g/mol
LogP3.22
Rot. Bonds3

About 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide

2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 59054055) has the molecular formula C13H12F3N3OS2 and a molecular weight of 347.39 g/mol. Its IUPAC name is 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
PubChem CID59054055
Molecular FormulaC13H12F3N3OS2
Molecular Weight347.39 g/mol
Exact Mass347.04
IUPAC Name2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(CN1CCc2sccc2C1)Nc1ncc(C(F)(F)F)s1
InChIInChI=1S/C13H12F3N3OS2/c14-13(15,16)10-5-17-12(22-10)18-11(20)7-19-3-1-9-8(6-19)2-4-21-9/h2,4-5H,1,3,6-7H2,(H,17,18,20)
InChIKeyVCHUOOJQXRDINC-UHFFFAOYSA-N
XLogP3.22
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide (CID 59054055) is 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide is O=C(CN1CCc2sccc2C1)Nc1ncc(C(F)(F)F)s1.
What is the InChIKey of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is VCHUOOJQXRDINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3OS2/c14-13(15,16)10-5-17-12(22-10)18-11(20)7-19-3-1-9-8(6-19)2-4-21-9/h2,4-5H,1,3,6-7H2,(H,17,18,20).
What are the key properties of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 347.39 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 59054055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).