N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(2-hydroxyethyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide

C17H17FN4O3S — CID 139521465

IUPACN-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(2-hydroxyethyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESO=C(Nc1ncc(Cc2cccc(F)c2)s1)C1=NN(CCO)C(=O)CC1
InChIInChI=1S/C17H17FN4O3S/c18-12-3-1-2-11(8-12)9-13-10-19-17(26-13)20-16(25)14-4-5-15(24)22(21-14)6-7-23/h1-3,8,10,23H,4-7,9H2,(H,19,20,25)
InChIKeyLZUSZAPQWZJZMQ-UHFFFAOYSA-N
MW376.41 g/mol
LogP1.78
Rot. Bonds6

About N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(2-hydroxyethyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide

N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(2-hydroxyethyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 139521465) has the molecular formula C17H17FN4O3S and a molecular weight of 376.41 g/mol. Its IUPAC name is N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(2-hydroxyethyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(2-hydroxyethyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID139521465
Molecular FormulaC17H17FN4O3S
Molecular Weight376.41 g/mol
Exact Mass376.10
IUPAC NameN-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(2-hydroxyethyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESO=C(Nc1ncc(Cc2cccc(F)c2)s1)C1=NN(CCO)C(=O)CC1
InChIInChI=1S/C17H17FN4O3S/c18-12-3-1-2-11(8-12)9-13-10-19-17(26-13)20-16(25)14-4-5-15(24)22(21-14)6-7-23/h1-3,8,10,23H,4-7,9H2,(H,19,20,25)
InChIKeyLZUSZAPQWZJZMQ-UHFFFAOYSA-N
XLogP1.78
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(2-hydroxyethyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(2-hydroxyethyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 139521465) is N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(2-hydroxyethyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(2-hydroxyethyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(2-hydroxyethyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide is O=C(Nc1ncc(Cc2cccc(F)c2)s1)C1=NN(CCO)C(=O)CC1.
What is the InChIKey of N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(2-hydroxyethyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is LZUSZAPQWZJZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O3S/c18-12-3-1-2-11(8-12)9-13-10-19-17(26-13)20-16(25)14-4-5-15(24)22(21-14)6-7-23/h1-3,8,10,23H,4-7,9H2,(H,19,20,25).
What are the key properties of N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(2-hydroxyethyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(2-hydroxyethyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 376.41 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(2-hydroxyethyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 139521465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).