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

C37H59FN8S2 — CID 160895450

IUPAC3,5-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
SMILESCC(C)c1cnnc(C(C)C)c1.CC(C)c1nc(C#N)c(C(C)C)s1.CC(C)c1nc(F)c(C(C)C)s1.CC(C)c1ncn(C(C)C)n1
InChIInChI=1S/C10H14N2S.C10H16N2.C9H14FNS.C8H15N3/c1-6(2)9-8(5-11)12-10(13-9)7(3)4;1-7(2)9-5-10(8(3)4)12-11-6-9;1-5(2)7-8(10)11-9(12-7)6(3)4;1-6(2)8-9-5-11(10-8)7(3)4/h6-7H,1-4H3;5-8H,1-4H3;5-6H,1-4H3;5-7H,1-4H3
InChIKeySOUSUSCFOQDOSG-UHFFFAOYSA-N
MW699.07 g/mol
LogP11.50
Rot. Bonds8

About 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

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 (PubChem CID 160895450) has the molecular formula C37H59FN8S2 and a molecular weight of 699.07 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3,5-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
PubChem CID160895450
Molecular FormulaC37H59FN8S2
Molecular Weight699.07 g/mol
Exact Mass698.43
IUPAC Name3,5-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
SMILESCC(C)c1cnnc(C(C)C)c1.CC(C)c1nc(C#N)c(C(C)C)s1.CC(C)c1nc(F)c(C(C)C)s1.CC(C)c1ncn(C(C)C)n1
InChIInChI=1S/C10H14N2S.C10H16N2.C9H14FNS.C8H15N3/c1-6(2)9-8(5-11)12-10(13-9)7(3)4;1-7(2)9-5-10(8(3)4)12-11-6-9;1-5(2)7-8(10)11-9(12-7)6(3)4;1-6(2)8-9-5-11(10-8)7(3)4/h6-7H,1-4H3;5-8H,1-4H3;5-6H,1-4H3;5-7H,1-4H3
InChIKeySOUSUSCFOQDOSG-UHFFFAOYSA-N
XLogP11.50
TPSA106.06 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.07
LogP ≤ 511.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

3,5-di(propan-2-yl)pyridazine
CID 21037378
2-[5-(6-ethylpyridazin-4-yl)hexan-2-yl]-4-fluoro-5-propan-2-yl-1,3-thiazole
CID 138548720
ethane;3-fluoro-5-propan-2-ylpyridine-2-carbonitrile
CID 145084095
2,6-di(propan-2-yl)-[1,3]thiazolo[4,5-b]pyridine
CID 59820187
6-bromo-3-fluoropyrazine-2-carbonitrile
CID 154733386
ethane;5-propan-2-yl-3-(trifluoromethyl)pyridine-2-carbonitrile
CID 177335328
4-(difluoromethyl)-2,6-di(propan-2-yl)pyridine;bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);2,4-di(propan-2-yl)-1,3-oxazole;1,3-di(propan-2-yl)pyrazole;bis(2,4-di(propan-2-yl)pyridine);2,6-di(propan-2-yl)pyridine;bis(2,4-di(propan-2-yl)-1,3-thiazol-5-amine);1,3-di(propan-2-yl)-1,2,4-triazole;1-methyl-3,5-di(propan-2-yl)-1,2,4-triazole;2,4,6-tri(propan-2-yl)pyridine
CID 159687360
3-fluoro-1-propan-2-yl-1,2,4-triazole
CID 170395825
1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)pyrazole;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);2,5-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)thiophene;methane
CID 167613412
1,4-di(propan-2-yl)imidazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;2,5-di(propan-2-yl)tetrazole;2,5-di(propan-2-yl)-1,3-thiazole;1,3-di(propan-2-yl)-1,2,4-triazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;ethane
CID 161184723
ethane;5-methyl-3-propan-2-ylpyridazine
CID 144528094
5-chloro-3-propan-2-ylpyridazine
CID 117106924

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1cnnc(C(C)C)c1.CC(C)c1nc(C#N)c(C(C)C)s1.CC(C)c1nc(F)c(C(C)C)s1.CC(C)c1ncn(C(C)C)n1.
What is the InChIKey of 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?
The InChIKey is SOUSUSCFOQDOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S.C10H16N2.C9H14FNS.C8H15N3/c1-6(2)9-8(5-11)12-10(13-9)7(3)4;1-7(2)9-5-10(8(3)4)12-11-6-9;1-5(2)7-8(10)11-9(12-7)6(3)4;1-6(2)8-9-5-11(10-8)7(3)4/h6-7H,1-4H3;5-8H,1-4H3;5-6H,1-4H3;5-7H,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 699.07 g/mol, XLogP of 11.50, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160895450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).