6-oxo-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-propylpyridazine-3-carboxamide

C23H20N4O2S — CID 30729881

IUPAC6-oxo-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)ccc1=O
InChIInChI=1S/C23H20N4O2S/c1-2-14-27-21(28)13-12-19(26-27)22(29)25-23-24-20(15-30-23)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-13,15H,2,14H2,1H3,(H,24,25,29)
InChIKeyBSQWPOSZSZPRKZ-UHFFFAOYSA-N
MW416.51 g/mol
LogP4.70
Rot. Bonds6

About 6-oxo-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-propylpyridazine-3-carboxamide

6-oxo-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-propylpyridazine-3-carboxamide (PubChem CID 30729881) has the molecular formula C23H20N4O2S and a molecular weight of 416.51 g/mol. Its IUPAC name is 6-oxo-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-propylpyridazine-3-carboxamide
PubChem CID30729881
Molecular FormulaC23H20N4O2S
Molecular Weight416.51 g/mol
Exact Mass416.13
IUPAC Name6-oxo-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)ccc1=O
InChIInChI=1S/C23H20N4O2S/c1-2-14-27-21(28)13-12-19(26-27)22(29)25-23-24-20(15-30-23)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-13,15H,2,14H2,1H3,(H,24,25,29)
InChIKeyBSQWPOSZSZPRKZ-UHFFFAOYSA-N
XLogP4.70
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-propylpyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-propylpyridazine-3-carboxamide (CID 30729881) is 6-oxo-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-propylpyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-propylpyridazine-3-carboxamide is CCCn1nc(C(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)ccc1=O.
What is the InChIKey of 6-oxo-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-propylpyridazine-3-carboxamide?
The InChIKey is BSQWPOSZSZPRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2S/c1-2-14-27-21(28)13-12-19(26-27)22(29)25-23-24-20(15-30-23)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-13,15H,2,14H2,1H3,(H,24,25,29).
What are the key properties of 6-oxo-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-propylpyridazine-3-carboxamide?
6-oxo-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-propylpyridazine-3-carboxamide has a molecular weight of 416.51 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 30729881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).