2-(diethylamino)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]thieno[2,3-d][1,3]thiazole-5-carboxamide

C17H18F2N4O2S2 — CID 167592256

IUPAC2-(diethylamino)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCCN(CC)c1nc2sc(C(=O)Nc3cc(F)c(=O)n(CCF)c3)cc2s1
InChIInChI=1S/C17H18F2N4O2S2/c1-3-22(4-2)17-21-15-13(27-17)8-12(26-15)14(24)20-10-7-11(19)16(25)23(9-10)6-5-18/h7-9H,3-6H2,1-2H3,(H,20,24)
InChIKeyIOUSHOVQNQPIGX-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.73
Rot. Bonds7

About 2-(diethylamino)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]thieno[2,3-d][1,3]thiazole-5-carboxamide

2-(diethylamino)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]thieno[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 167592256) has the molecular formula C17H18F2N4O2S2 and a molecular weight of 412.49 g/mol. Its IUPAC name is 2-(diethylamino)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]thieno[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(diethylamino)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]thieno[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID167592256
Molecular FormulaC17H18F2N4O2S2
Molecular Weight412.49 g/mol
Exact Mass412.08
IUPAC Name2-(diethylamino)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCCN(CC)c1nc2sc(C(=O)Nc3cc(F)c(=O)n(CCF)c3)cc2s1
InChIInChI=1S/C17H18F2N4O2S2/c1-3-22(4-2)17-21-15-13(27-17)8-12(26-15)14(24)20-10-7-11(19)16(25)23(9-10)6-5-18/h7-9H,3-6H2,1-2H3,(H,20,24)
InChIKeyIOUSHOVQNQPIGX-UHFFFAOYSA-N
XLogP3.73
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(diethylamino)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]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-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]thieno[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of 2-(diethylamino)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]thieno[2,3-d][1,3]thiazole-5-carboxamide (CID 167592256) is 2-(diethylamino)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]thieno[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 2-(diethylamino)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]thieno[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for 2-(diethylamino)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]thieno[2,3-d][1,3]thiazole-5-carboxamide is CCN(CC)c1nc2sc(C(=O)Nc3cc(F)c(=O)n(CCF)c3)cc2s1.
What is the InChIKey of 2-(diethylamino)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]thieno[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is IOUSHOVQNQPIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N4O2S2/c1-3-22(4-2)17-21-15-13(27-17)8-12(26-15)14(24)20-10-7-11(19)16(25)23(9-10)6-5-18/h7-9H,3-6H2,1-2H3,(H,20,24).
What are the key properties of 2-(diethylamino)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]thieno[2,3-d][1,3]thiazole-5-carboxamide?
2-(diethylamino)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]thieno[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]thieno[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 167592256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).