2-[5-(6-ethylpyridazin-4-yl)hexan-2-yl]-4-fluoro-5-propan-2-yl-1,3-thiazole

C18H26FN3S — CID 138548720

IUPAC2-[5-(6-ethylpyridazin-4-yl)hexan-2-yl]-4-fluoro-5-propan-2-yl-1,3-thiazole
SMILESCCc1cc(C(C)CCC(C)c2nc(F)c(C(C)C)s2)cnn1
InChIInChI=1S/C18H26FN3S/c1-6-15-9-14(10-20-22-15)12(4)7-8-13(5)18-21-17(19)16(23-18)11(2)3/h9-13H,6-8H2,1-5H3
InChIKeyBJCWYHMLBOXVIX-UHFFFAOYSA-N
MW335.49 g/mol
LogP5.45
Rot. Bonds7

About 2-[5-(6-ethylpyridazin-4-yl)hexan-2-yl]-4-fluoro-5-propan-2-yl-1,3-thiazole

2-[5-(6-ethylpyridazin-4-yl)hexan-2-yl]-4-fluoro-5-propan-2-yl-1,3-thiazole (PubChem CID 138548720) has the molecular formula C18H26FN3S and a molecular weight of 335.49 g/mol. Its IUPAC name is 2-[5-(6-ethylpyridazin-4-yl)hexan-2-yl]-4-fluoro-5-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-[5-(6-ethylpyridazin-4-yl)hexan-2-yl]-4-fluoro-5-propan-2-yl-1,3-thiazole
PubChem CID138548720
Molecular FormulaC18H26FN3S
Molecular Weight335.49 g/mol
Exact Mass335.18
IUPAC Name2-[5-(6-ethylpyridazin-4-yl)hexan-2-yl]-4-fluoro-5-propan-2-yl-1,3-thiazole
SMILESCCc1cc(C(C)CCC(C)c2nc(F)c(C(C)C)s2)cnn1
InChIInChI=1S/C18H26FN3S/c1-6-15-9-14(10-20-22-15)12(4)7-8-13(5)18-21-17(19)16(23-18)11(2)3/h9-13H,6-8H2,1-5H3
InChIKeyBJCWYHMLBOXVIX-UHFFFAOYSA-N
XLogP5.45
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.49
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[5-(6-ethylpyridazin-4-yl)hexan-2-yl]-4-fluoro-5-propan-2-yl-1,3-thiazole with MolForge

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Related Compounds

3,5-di(propan-2-yl)pyridazine;2,5-di(propan-2-yl)-1,3-thiazole-4-carbonitrile;1,3-di(propan-2-yl)-1,2,4-triazole;4-fluoro-2,5-di(propan-2-yl)-1,3-thiazole
CID 160895450
5-propan-2-yl-3-(3-pyridazin-4-ylbutyl)pyridazine
CID 134546382
5-(6-ethylpyridazin-4-yl)thiophene-2-carboxylic acid
CID 118468569
1-(5-propan-2-ylpyridazin-3-yl)propan-1-one
CID 170384637
3-ethyl-5-fluoro-1,2-thiazole
CID 144946160
2-ethyl-4-fluoro-6-propan-2-ylpyridine
CID 155119426
5-propan-2-yl-2-[5-(4-propan-2-ylphenyl)hexan-2-yl]-1,3-thiazole
CID 155415812
2-ethyl-5-fluoro-4-propan-2-ylpyridine
CID 137409509
1-(5-ethyl-1,2,4-triazin-3-yl)ethanamine
CID 105429787
ethane;6-ethyl-1,2,4-triazine
CID 142062821
3,5-di(propan-2-yl)pyridazine
CID 21037378
3-(5-fluoro-3-pyridinyl)-N-propan-2-ylbutan-1-amine
CID 81020324

Frequently Asked Questions

What is the IUPAC name of 2-[5-(6-ethylpyridazin-4-yl)hexan-2-yl]-4-fluoro-5-propan-2-yl-1,3-thiazole?
The IUPAC name of 2-[5-(6-ethylpyridazin-4-yl)hexan-2-yl]-4-fluoro-5-propan-2-yl-1,3-thiazole (CID 138548720) is 2-[5-(6-ethylpyridazin-4-yl)hexan-2-yl]-4-fluoro-5-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 2-[5-(6-ethylpyridazin-4-yl)hexan-2-yl]-4-fluoro-5-propan-2-yl-1,3-thiazole?
The canonical SMILES for 2-[5-(6-ethylpyridazin-4-yl)hexan-2-yl]-4-fluoro-5-propan-2-yl-1,3-thiazole is CCc1cc(C(C)CCC(C)c2nc(F)c(C(C)C)s2)cnn1.
What is the InChIKey of 2-[5-(6-ethylpyridazin-4-yl)hexan-2-yl]-4-fluoro-5-propan-2-yl-1,3-thiazole?
The InChIKey is BJCWYHMLBOXVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3S/c1-6-15-9-14(10-20-22-15)12(4)7-8-13(5)18-21-17(19)16(23-18)11(2)3/h9-13H,6-8H2,1-5H3.
What are the key properties of 2-[5-(6-ethylpyridazin-4-yl)hexan-2-yl]-4-fluoro-5-propan-2-yl-1,3-thiazole?
2-[5-(6-ethylpyridazin-4-yl)hexan-2-yl]-4-fluoro-5-propan-2-yl-1,3-thiazole has a molecular weight of 335.49 g/mol, XLogP of 5.45, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(6-ethylpyridazin-4-yl)hexan-2-yl]-4-fluoro-5-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 138548720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).