2-(diethylamino)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]thieno[2,3-d][1,3]thiazole-5-carboxamide

C17H24F2N4OS2 — CID 49072475

IUPAC2-(diethylamino)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCCN(CC)c1nc2sc(C(=O)NC3CCN(CC(F)F)CC3)cc2s1
InChIInChI=1S/C17H24F2N4OS2/c1-3-23(4-2)17-21-16-13(26-17)9-12(25-16)15(24)20-11-5-7-22(8-6-11)10-14(18)19/h9,11,14H,3-8,10H2,1-2H3,(H,20,24)
InChIKeyMTIZOYRPSVTTDW-UHFFFAOYSA-N
MW402.54 g/mol
LogP3.66
Rot. Bonds7

About 2-(diethylamino)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]thieno[2,3-d][1,3]thiazole-5-carboxamide

2-(diethylamino)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]thieno[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 49072475) has the molecular formula C17H24F2N4OS2 and a molecular weight of 402.54 g/mol. Its IUPAC name is 2-(diethylamino)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]thieno[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(diethylamino)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]thieno[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID49072475
Molecular FormulaC17H24F2N4OS2
Molecular Weight402.54 g/mol
Exact Mass402.14
IUPAC Name2-(diethylamino)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCCN(CC)c1nc2sc(C(=O)NC3CCN(CC(F)F)CC3)cc2s1
InChIInChI=1S/C17H24F2N4OS2/c1-3-23(4-2)17-21-16-13(26-17)9-12(25-16)15(24)20-11-5-7-22(8-6-11)10-14(18)19/h9,11,14H,3-8,10H2,1-2H3,(H,20,24)
InChIKeyMTIZOYRPSVTTDW-UHFFFAOYSA-N
XLogP3.66
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(diethylamino)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]thieno[2,3-d][1,3]thiazole-5-carboxamide 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-(diethylamino)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]thieno[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of 2-(diethylamino)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]thieno[2,3-d][1,3]thiazole-5-carboxamide (CID 49072475) is 2-(diethylamino)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]thieno[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 2-(diethylamino)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]thieno[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for 2-(diethylamino)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]thieno[2,3-d][1,3]thiazole-5-carboxamide is CCN(CC)c1nc2sc(C(=O)NC3CCN(CC(F)F)CC3)cc2s1.
What is the InChIKey of 2-(diethylamino)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]thieno[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is MTIZOYRPSVTTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N4OS2/c1-3-23(4-2)17-21-16-13(26-17)9-12(25-16)15(24)20-11-5-7-22(8-6-11)10-14(18)19/h9,11,14H,3-8,10H2,1-2H3,(H,20,24).
What are the key properties of 2-(diethylamino)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]thieno[2,3-d][1,3]thiazole-5-carboxamide?
2-(diethylamino)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]thieno[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 402.54 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]thieno[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 49072475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).