2,7-di(propan-2-yl)-1,3-benzothiazole;3,5-di(propan-2-yl)-1,2-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)pyridazine;2,4-di(propan-2-yl)pyridine;1,5-di(propan-2-yl)pyrrole-2-carbonitrile;1,4-di(propan-2-yl)triazole;4-fluoro-2,5-di(propan-2-yl)-1,3-thiazole

C80H126FN13OS2 — CID 161454818

IUPAC2,7-di(propan-2-yl)-1,3-benzothiazole;3,5-di(propan-2-yl)-1,2-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)pyridazine;2,4-di(propan-2-yl)pyridine;1,5-di(propan-2-yl)pyrrole-2-carbonitrile;1,4-di(propan-2-yl)triazole;4-fluoro-2,5-di(propan-2-yl)-1,3-thiazole
SMILESCC(C)c1cc(C(C)C)[nH]n1.CC(C)c1cc(C(C)C)on1.CC(C)c1ccc(C#N)n1C(C)C.CC(C)c1ccnc(C(C)C)c1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cnnc(C(C)C)c1.CC(C)c1nc(F)c(C(C)C)s1.CC(C)c1nc2cccc(C(C)C)c2s1
InChIInChI=1S/C13H17NS.C11H16N2.C11H17N.C10H16N2.C9H14FNS.C9H16N2.C9H15NO.C8H15N3/c1-8(2)10-6-5-7-11-12(10)15-13(14-11)9(3)4;1-8(2)11-6-5-10(7-12)13(11)9(3)4;1-8(2)10-5-6-12-11(7-10)9(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;2*1-6(2)8-5-9(7(3)4)11-10-8;1-6(2)8-5-11(7(3)4)10-9-8/h5-9H,1-4H3;5-6,8-9H,1-4H3;5-9H,1-4H3;5-8H,1-4H3;5-6H,1-4H3;5-7H,1-4H3,(H,10,11);2*5-7H,1-4H3
InChIKeyWBAAQAVPJSYEKM-UHFFFAOYSA-N
MW1369.11 g/mol
LogP24.75
Rot. Bonds16

About 2,7-di(propan-2-yl)-1,3-benzothiazole;3,5-di(propan-2-yl)-1,2-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)pyridazine;2,4-di(propan-2-yl)pyridine;1,5-di(propan-2-yl)pyrrole-2-carbonitrile;1,4-di(propan-2-yl)triazole;4-fluoro-2,5-di(propan-2-yl)-1,3-thiazole

2,7-di(propan-2-yl)-1,3-benzothiazole;3,5-di(propan-2-yl)-1,2-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)pyridazine;2,4-di(propan-2-yl)pyridine;1,5-di(propan-2-yl)pyrrole-2-carbonitrile;1,4-di(propan-2-yl)triazole;4-fluoro-2,5-di(propan-2-yl)-1,3-thiazole (PubChem CID 161454818) has the molecular formula C80H126FN13OS2 and a molecular weight of 1369.11 g/mol. Its IUPAC name is 2,7-di(propan-2-yl)-1,3-benzothiazole;3,5-di(propan-2-yl)-1,2-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)pyridazine;2,4-di(propan-2-yl)pyridine;1,5-di(propan-2-yl)pyrrole-2-carbonitrile;1,4-di(propan-2-yl)triazole;4-fluoro-2,5-di(propan-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name2,7-di(propan-2-yl)-1,3-benzothiazole;3,5-di(propan-2-yl)-1,2-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)pyridazine;2,4-di(propan-2-yl)pyridine;1,5-di(propan-2-yl)pyrrole-2-carbonitrile;1,4-di(propan-2-yl)triazole;4-fluoro-2,5-di(propan-2-yl)-1,3-thiazole
PubChem CID161454818
Molecular FormulaC80H126FN13OS2
Molecular Weight1369.11 g/mol
Exact Mass1367.96
IUPAC Name2,7-di(propan-2-yl)-1,3-benzothiazole;3,5-di(propan-2-yl)-1,2-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)pyridazine;2,4-di(propan-2-yl)pyridine;1,5-di(propan-2-yl)pyrrole-2-carbonitrile;1,4-di(propan-2-yl)triazole;4-fluoro-2,5-di(propan-2-yl)-1,3-thiazole
SMILESCC(C)c1cc(C(C)C)[nH]n1.CC(C)c1cc(C(C)C)on1.CC(C)c1ccc(C#N)n1C(C)C.CC(C)c1ccnc(C(C)C)c1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cnnc(C(C)C)c1.CC(C)c1nc(F)c(C(C)C)s1.CC(C)c1nc2cccc(C(C)C)c2s1
InChIInChI=1S/C13H17NS.C11H16N2.C11H17N.C10H16N2.C9H14FNS.C9H16N2.C9H15NO.C8H15N3/c1-8(2)10-6-5-7-11-12(10)15-13(14-11)9(3)4;1-8(2)11-6-5-10(7-12)13(11)9(3)4;1-8(2)10-5-6-12-11(7-10)9(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;2*1-6(2)8-5-9(7(3)4)11-10-8;1-6(2)8-5-11(7(3)4)10-9-8/h5-9H,1-4H3;5-6,8-9H,1-4H3;5-9H,1-4H3;5-8H,1-4H3;5-6H,1-4H3;5-7H,1-4H3,(H,10,11);2*5-7H,1-4H3
InChIKeyWBAAQAVPJSYEKM-UHFFFAOYSA-N
XLogP24.75
TPSA178.59 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds16
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001369.11
LogP ≤ 524.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Analyze 2,7-di(propan-2-yl)-1,3-benzothiazole;3,5-di(propan-2-yl)-1,2-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)pyridazine;2,4-di(propan-2-yl)pyridine;1,5-di(propan-2-yl)pyrrole-2-carbonitrile;1,4-di(propan-2-yl)triazole;4-fluoro-2,5-di(propan-2-yl)-1,3-thiazole with MolForge

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Related Compounds

2,7-di(propan-2-yl)-1,3-benzothiazole;3,5-di(propan-2-yl)-1,2-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)pyridazine;2,4-di(propan-2-yl)pyridine;1,4-di(propan-2-yl)triazole;4-fluoro-2,5-di(propan-2-yl)-1,3-thiazole;3-methyl-1,5-di(propan-2-yl)pyrazole;2-methyl-1,5-di(propan-2-yl)pyrrole
CID 158141960
2,7-di(propan-2-yl)-1,3-benzothiazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)pyridazine;2,4-di(propan-2-yl)pyridine;1,5-di(propan-2-yl)pyrrole-2-carbonitrile;2,5-di(propan-2-yl)-1,3-thiazole-4-carbonitrile;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;4-fluoro-2,5-di(propan-2-yl)-1,3-thiazole;3-methyl-1,5-di(propan-2-yl)pyrazole
CID 158486933
2,7-di(propan-2-yl)-1,3-benzothiazole;2,4-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)pyridazine;2,4-di(propan-2-yl)pyridine;1,5-di(propan-2-yl)pyrrole-2-carbonitrile;1,4-di(propan-2-yl)triazole;4-fluoro-2,5-di(propan-2-yl)-1,3-thiazole;3-methyl-1,5-di(propan-2-yl)-3H-pyrazol-1-ium
CID 159363852
3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-ylindole;2-methyl-3-propan-2-yl-1H-indole;bis(3-propan-2-yl-2H-indazole);3-propan-2-yl-1H-indole;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine
CID 159638334
3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-ylindazole;1-methyl-3-propan-2-ylindole;2-methyl-3-propan-2-yl-1H-indole;3-propan-2-yl-2H-indazole;3-propan-2-yl-1H-indole;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine
CID 160138380
2,7-di(propan-2-yl)-1,3-benzothiazole;3,5-di(propan-2-yl)-1,2-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)pyridazine;2,4-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)-1,3-thiazole-4-carbonitrile;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;4-fluoro-2,5-di(propan-2-yl)-1,3-thiazole;3-methyl-1,5-di(propan-2-yl)pyrazole;2-methyl-1,5-di(propan-2-yl)pyrrole
CID 160646635
2,7-di(propan-2-yl)-1,3-benzothiazole;3,5-di(propan-2-yl)-1,2-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)pyridazine;2,4-di(propan-2-yl)pyridine;1,4-di(propan-2-yl)triazole;4-fluoro-2,5-di(propan-2-yl)-1,3-thiazole;3-methyl-1,5-di(propan-2-yl)pyrazole;2-methyl-1,5-di(propan-2-yl)pyrrole;3-methyl-1,5-di(propan-2-yl)pyrrole-2-carbonitrile
CID 162092873
2,7-di(propan-2-yl)-1,3-benzothiazole;3,5-di(propan-2-yl)-1,2-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)pyridazine;2,4-di(propan-2-yl)pyridine;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole
CID 162148587
3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;methane;1-methyl-3-propan-2-ylindazole;1-methyl-3-propan-2-ylindole;2-methyl-3-propan-2-yl-1H-indole;3-propan-2-yl-2H-indazole;3-propan-2-yl-1H-indole;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine
CID 165042569
3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-ylindazole;1-methyl-3-propan-2-ylindole;2-methyl-3-propan-2-yl-1H-indole;bis(3-propan-2-yl-1H-indole);3-propan-2-yl-1H-indole-2-carbonitrile;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine
CID 165048564

Frequently Asked Questions

What is the IUPAC name of 2,7-di(propan-2-yl)-1,3-benzothiazole;3,5-di(propan-2-yl)-1,2-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)pyridazine;2,4-di(propan-2-yl)pyridine;1,5-di(propan-2-yl)pyrrole-2-carbonitrile;1,4-di(propan-2-yl)triazole;4-fluoro-2,5-di(propan-2-yl)-1,3-thiazole?
The IUPAC name of 2,7-di(propan-2-yl)-1,3-benzothiazole;3,5-di(propan-2-yl)-1,2-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)pyridazine;2,4-di(propan-2-yl)pyridine;1,5-di(propan-2-yl)pyrrole-2-carbonitrile;1,4-di(propan-2-yl)triazole;4-fluoro-2,5-di(propan-2-yl)-1,3-thiazole (CID 161454818) is 2,7-di(propan-2-yl)-1,3-benzothiazole;3,5-di(propan-2-yl)-1,2-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)pyridazine;2,4-di(propan-2-yl)pyridine;1,5-di(propan-2-yl)pyrrole-2-carbonitrile;1,4-di(propan-2-yl)triazole;4-fluoro-2,5-di(propan-2-yl)-1,3-thiazole.
What is the SMILES notation for 2,7-di(propan-2-yl)-1,3-benzothiazole;3,5-di(propan-2-yl)-1,2-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)pyridazine;2,4-di(propan-2-yl)pyridine;1,5-di(propan-2-yl)pyrrole-2-carbonitrile;1,4-di(propan-2-yl)triazole;4-fluoro-2,5-di(propan-2-yl)-1,3-thiazole?
The canonical SMILES for 2,7-di(propan-2-yl)-1,3-benzothiazole;3,5-di(propan-2-yl)-1,2-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)pyridazine;2,4-di(propan-2-yl)pyridine;1,5-di(propan-2-yl)pyrrole-2-carbonitrile;1,4-di(propan-2-yl)triazole;4-fluoro-2,5-di(propan-2-yl)-1,3-thiazole is CC(C)c1cc(C(C)C)[nH]n1.CC(C)c1cc(C(C)C)on1.CC(C)c1ccc(C#N)n1C(C)C.CC(C)c1ccnc(C(C)C)c1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cnnc(C(C)C)c1.CC(C)c1nc(F)c(C(C)C)s1.CC(C)c1nc2cccc(C(C)C)c2s1.
What is the InChIKey of 2,7-di(propan-2-yl)-1,3-benzothiazole;3,5-di(propan-2-yl)-1,2-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)pyridazine;2,4-di(propan-2-yl)pyridine;1,5-di(propan-2-yl)pyrrole-2-carbonitrile;1,4-di(propan-2-yl)triazole;4-fluoro-2,5-di(propan-2-yl)-1,3-thiazole?
The InChIKey is WBAAQAVPJSYEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NS.C11H16N2.C11H17N.C10H16N2.C9H14FNS.C9H16N2.C9H15NO.C8H15N3/c1-8(2)10-6-5-7-11-12(10)15-13(14-11)9(3)4;1-8(2)11-6-5-10(7-12)13(11)9(3)4;1-8(2)10-5-6-12-11(7-10)9(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;2*1-6(2)8-5-9(7(3)4)11-10-8;1-6(2)8-5-11(7(3)4)10-9-8/h5-9H,1-4H3;5-6,8-9H,1-4H3;5-9H,1-4H3;5-8H,1-4H3;5-6H,1-4H3;5-7H,1-4H3,(H,10,11);2*5-7H,1-4H3.
What are the key properties of 2,7-di(propan-2-yl)-1,3-benzothiazole;3,5-di(propan-2-yl)-1,2-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)pyridazine;2,4-di(propan-2-yl)pyridine;1,5-di(propan-2-yl)pyrrole-2-carbonitrile;1,4-di(propan-2-yl)triazole;4-fluoro-2,5-di(propan-2-yl)-1,3-thiazole?
2,7-di(propan-2-yl)-1,3-benzothiazole;3,5-di(propan-2-yl)-1,2-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)pyridazine;2,4-di(propan-2-yl)pyridine;1,5-di(propan-2-yl)pyrrole-2-carbonitrile;1,4-di(propan-2-yl)triazole;4-fluoro-2,5-di(propan-2-yl)-1,3-thiazole has a molecular weight of 1369.11 g/mol, XLogP of 24.75, 16 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-di(propan-2-yl)-1,3-benzothiazole;3,5-di(propan-2-yl)-1,2-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)pyridazine;2,4-di(propan-2-yl)pyridine;1,5-di(propan-2-yl)pyrrole-2-carbonitrile;1,4-di(propan-2-yl)triazole;4-fluoro-2,5-di(propan-2-yl)-1,3-thiazole is sourced from PubChem (CID 161454818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).