1-(2-fluoroethyl)-4-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide

C17H14F2N4O2S — CID 175689169

IUPAC1-(2-fluoroethyl)-4-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide
SMILESNC(=O)c1nn(CCF)c(=O)cc1-c1ncc(Cc2cccc(F)c2)s1
InChIInChI=1S/C17H14F2N4O2S/c18-4-5-23-14(24)8-13(15(22-23)16(20)25)17-21-9-12(26-17)7-10-2-1-3-11(19)6-10/h1-3,6,8-9H,4-5,7H2,(H2,20,25)
InChIKeyTVQBPMQVMMQZHR-UHFFFAOYSA-N
MW376.39 g/mol
LogP2.17
Rot. Bonds6

About 1-(2-fluoroethyl)-4-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide

1-(2-fluoroethyl)-4-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide (PubChem CID 175689169) has the molecular formula C17H14F2N4O2S and a molecular weight of 376.39 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-4-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluoroethyl)-4-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide
PubChem CID175689169
Molecular FormulaC17H14F2N4O2S
Molecular Weight376.39 g/mol
Exact Mass376.08
IUPAC Name1-(2-fluoroethyl)-4-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide
SMILESNC(=O)c1nn(CCF)c(=O)cc1-c1ncc(Cc2cccc(F)c2)s1
InChIInChI=1S/C17H14F2N4O2S/c18-4-5-23-14(24)8-13(15(22-23)16(20)25)17-21-9-12(26-17)7-10-2-1-3-11(19)6-10/h1-3,6,8-9H,4-5,7H2,(H2,20,25)
InChIKeyTVQBPMQVMMQZHR-UHFFFAOYSA-N
XLogP2.17
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-4-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-(2-fluoroethyl)-4-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide (CID 175689169) is 1-(2-fluoroethyl)-4-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-(2-fluoroethyl)-4-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-(2-fluoroethyl)-4-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide is NC(=O)c1nn(CCF)c(=O)cc1-c1ncc(Cc2cccc(F)c2)s1.
What is the InChIKey of 1-(2-fluoroethyl)-4-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide?
The InChIKey is TVQBPMQVMMQZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4O2S/c18-4-5-23-14(24)8-13(15(22-23)16(20)25)17-21-9-12(26-17)7-10-2-1-3-11(19)6-10/h1-3,6,8-9H,4-5,7H2,(H2,20,25).
What are the key properties of 1-(2-fluoroethyl)-4-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide?
1-(2-fluoroethyl)-4-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide has a molecular weight of 376.39 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-4-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 175689169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).