4-(3-fluoro-2-pyridinyl)-5-[(4-propyl-6-pyrimidin-5-ylpyridazin-3-yl)methyl]-1,3-thiazole

C20H17FN6S — CID 59759776

IUPAC4-(3-fluoro-2-pyridinyl)-5-[(4-propyl-6-pyrimidin-5-ylpyridazin-3-yl)methyl]-1,3-thiazole
SMILESCCCc1cc(-c2cncnc2)nnc1Cc1scnc1-c1ncccc1F
InChIInChI=1S/C20H17FN6S/c1-2-4-13-7-16(14-9-22-11-23-10-14)26-27-17(13)8-18-20(25-12-28-18)19-15(21)5-3-6-24-19/h3,5-7,9-12H,2,4,8H2,1H3
InChIKeyYZZMPXZYBDKINR-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.13
Rot. Bonds6

About 4-(3-fluoro-2-pyridinyl)-5-[(4-propyl-6-pyrimidin-5-ylpyridazin-3-yl)methyl]-1,3-thiazole

4-(3-fluoro-2-pyridinyl)-5-[(4-propyl-6-pyrimidin-5-ylpyridazin-3-yl)methyl]-1,3-thiazole (PubChem CID 59759776) has the molecular formula C20H17FN6S and a molecular weight of 392.46 g/mol. Its IUPAC name is 4-(3-fluoro-2-pyridinyl)-5-[(4-propyl-6-pyrimidin-5-ylpyridazin-3-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(3-fluoro-2-pyridinyl)-5-[(4-propyl-6-pyrimidin-5-ylpyridazin-3-yl)methyl]-1,3-thiazole
PubChem CID59759776
Molecular FormulaC20H17FN6S
Molecular Weight392.46 g/mol
Exact Mass392.12
IUPAC Name4-(3-fluoro-2-pyridinyl)-5-[(4-propyl-6-pyrimidin-5-ylpyridazin-3-yl)methyl]-1,3-thiazole
SMILESCCCc1cc(-c2cncnc2)nnc1Cc1scnc1-c1ncccc1F
InChIInChI=1S/C20H17FN6S/c1-2-4-13-7-16(14-9-22-11-23-10-14)26-27-17(13)8-18-20(25-12-28-18)19-15(21)5-3-6-24-19/h3,5-7,9-12H,2,4,8H2,1H3
InChIKeyYZZMPXZYBDKINR-UHFFFAOYSA-N
XLogP4.13
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-2-pyridinyl)-5-[(4-propyl-6-pyrimidin-5-ylpyridazin-3-yl)methyl]-1,3-thiazole?
The IUPAC name of 4-(3-fluoro-2-pyridinyl)-5-[(4-propyl-6-pyrimidin-5-ylpyridazin-3-yl)methyl]-1,3-thiazole (CID 59759776) is 4-(3-fluoro-2-pyridinyl)-5-[(4-propyl-6-pyrimidin-5-ylpyridazin-3-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 4-(3-fluoro-2-pyridinyl)-5-[(4-propyl-6-pyrimidin-5-ylpyridazin-3-yl)methyl]-1,3-thiazole?
The canonical SMILES for 4-(3-fluoro-2-pyridinyl)-5-[(4-propyl-6-pyrimidin-5-ylpyridazin-3-yl)methyl]-1,3-thiazole is CCCc1cc(-c2cncnc2)nnc1Cc1scnc1-c1ncccc1F.
What is the InChIKey of 4-(3-fluoro-2-pyridinyl)-5-[(4-propyl-6-pyrimidin-5-ylpyridazin-3-yl)methyl]-1,3-thiazole?
The InChIKey is YZZMPXZYBDKINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN6S/c1-2-4-13-7-16(14-9-22-11-23-10-14)26-27-17(13)8-18-20(25-12-28-18)19-15(21)5-3-6-24-19/h3,5-7,9-12H,2,4,8H2,1H3.
What are the key properties of 4-(3-fluoro-2-pyridinyl)-5-[(4-propyl-6-pyrimidin-5-ylpyridazin-3-yl)methyl]-1,3-thiazole?
4-(3-fluoro-2-pyridinyl)-5-[(4-propyl-6-pyrimidin-5-ylpyridazin-3-yl)methyl]-1,3-thiazole has a molecular weight of 392.46 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-2-pyridinyl)-5-[(4-propyl-6-pyrimidin-5-ylpyridazin-3-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 59759776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).