2,7-di(propan-2-yl)-1,3-benzothiazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(2,4-di(propan-2-yl)-1,3-oxazole);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;2,5-di(propan-2-yl)-1,3,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole-4-carbonitrile;1,3-di(propan-2-yl)-1,2,4-triazole;2,4-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

C151H249FN26O5S4 — CID 159730247

IUPAC2,7-di(propan-2-yl)-1,3-benzothiazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(2,4-di(propan-2-yl)-1,3-oxazole);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;2,5-di(propan-2-yl)-1,3,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole-4-carbonitrile;1,3-di(propan-2-yl)-1,2,4-triazole;2,4-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
SMILESCC(C)c1cc(C(C)C)[nH]n1.CC(C)c1cc(C(C)C)on1.CC(C)c1ccnc(C(C)C)c1.CC(C)c1cnc(C(C)C)o1.CC(C)c1cnn(C(C)C)n1.CC(C)c1cnnc(C(C)C)c1.CC(C)c1coc(C(C)C)n1.CC(C)c1coc(C(C)C)n1.CC(C)c1nc(C#N)c(C(C)C)s1.CC(C)c1nc(F)c(C(C)C)s1.CC(C)c1nc2cccc(C(C)C)c2s1.CC(C)c1ncn(C(C)C)n1.CC(C)c1nnc(C(C)C)o1.CC(C)c1nnc(C(C)C)s1.Cc1cc(C(C)C)n(C(C)C)n1.Cc1ccc(C(C)C)n1C(C)C
InChIInChI=1S/C13H17NS.C11H19N.C11H17N.C10H14N2S.C10H18N2.C10H16N2.C9H14FNS.C9H16N2.4C9H15NO.2C8H15N3.C8H14N2O.C8H14N2S/c1-8(2)10-6-5-7-11-12(10)15-13(14-11)9(3)4;1-8(2)11-7-6-10(5)12(11)9(3)4;1-8(2)10-5-6-12-11(7-10)9(3)4;1-6(2)9-8(5-11)12-10(13-9)7(3)4;1-7(2)10-6-9(5)11-12(10)8(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)8-5-9(7(3)4)11-10-8;2*1-6(2)8-5-11-9(10-8)7(3)4;1-6(2)8-5-10-9(11-8)7(3)4;1-6(2)8-5-9(7(3)4)11-10-8;1-6(2)8-9-5-11(10-8)7(3)4;1-6(2)8-5-9-11(10-8)7(3)4;2*1-5(2)7-9-10-8(11-7)6(3)4/h5-9H,1-4H3;6-9H,1-5H3;5-9H,1-4H3;6-7H,1-4H3;6-8H,1-5H3;5-8H,1-4H3;5-6H,1-4H3;5-7H,1-4H3,(H,10,11);6*5-7H,1-4H3;2*5-6H,1-4H3
InChIKeyNBDNCQLQEDDIMZ-UHFFFAOYSA-N
MW2656.10 g/mol
LogP47.19
Rot. Bonds32

About 2,7-di(propan-2-yl)-1,3-benzothiazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(2,4-di(propan-2-yl)-1,3-oxazole);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;2,5-di(propan-2-yl)-1,3,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole-4-carbonitrile;1,3-di(propan-2-yl)-1,2,4-triazole;2,4-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

2,7-di(propan-2-yl)-1,3-benzothiazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(2,4-di(propan-2-yl)-1,3-oxazole);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;2,5-di(propan-2-yl)-1,3,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole-4-carbonitrile;1,3-di(propan-2-yl)-1,2,4-triazole;2,4-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 (PubChem CID 159730247) has the molecular formula C151H249FN26O5S4 and a molecular weight of 2656.10 g/mol. Its IUPAC name is 2,7-di(propan-2-yl)-1,3-benzothiazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(2,4-di(propan-2-yl)-1,3-oxazole);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;2,5-di(propan-2-yl)-1,3,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole-4-carbonitrile;1,3-di(propan-2-yl)-1,2,4-triazole;2,4-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.

Molecular Properties

Compound Name2,7-di(propan-2-yl)-1,3-benzothiazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(2,4-di(propan-2-yl)-1,3-oxazole);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;2,5-di(propan-2-yl)-1,3,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole-4-carbonitrile;1,3-di(propan-2-yl)-1,2,4-triazole;2,4-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
PubChem CID159730247
Molecular FormulaC151H249FN26O5S4
Molecular Weight2656.10 g/mol
Exact Mass2653.89
IUPAC Name2,7-di(propan-2-yl)-1,3-benzothiazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(2,4-di(propan-2-yl)-1,3-oxazole);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;2,5-di(propan-2-yl)-1,3,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole-4-carbonitrile;1,3-di(propan-2-yl)-1,2,4-triazole;2,4-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
SMILESCC(C)c1cc(C(C)C)[nH]n1.CC(C)c1cc(C(C)C)on1.CC(C)c1ccnc(C(C)C)c1.CC(C)c1cnc(C(C)C)o1.CC(C)c1cnn(C(C)C)n1.CC(C)c1cnnc(C(C)C)c1.CC(C)c1coc(C(C)C)n1.CC(C)c1coc(C(C)C)n1.CC(C)c1nc(C#N)c(C(C)C)s1.CC(C)c1nc(F)c(C(C)C)s1.CC(C)c1nc2cccc(C(C)C)c2s1.CC(C)c1ncn(C(C)C)n1.CC(C)c1nnc(C(C)C)o1.CC(C)c1nnc(C(C)C)s1.Cc1cc(C(C)C)n(C(C)C)n1.Cc1ccc(C(C)C)n1C(C)C
InChIInChI=1S/C13H17NS.C11H19N.C11H17N.C10H14N2S.C10H18N2.C10H16N2.C9H14FNS.C9H16N2.4C9H15NO.2C8H15N3.C8H14N2O.C8H14N2S/c1-8(2)10-6-5-7-11-12(10)15-13(14-11)9(3)4;1-8(2)11-7-6-10(5)12(11)9(3)4;1-8(2)10-5-6-12-11(7-10)9(3)4;1-6(2)9-8(5-11)12-10(13-9)7(3)4;1-7(2)10-6-9(5)11-12(10)8(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)8-5-9(7(3)4)11-10-8;2*1-6(2)8-5-11-9(10-8)7(3)4;1-6(2)8-5-10-9(11-8)7(3)4;1-6(2)8-5-9(7(3)4)11-10-8;1-6(2)8-9-5-11(10-8)7(3)4;1-6(2)8-5-9-11(10-8)7(3)4;2*1-5(2)7-9-10-8(11-7)6(3)4/h5-9H,1-4H3;6-9H,1-5H3;5-9H,1-4H3;6-7H,1-4H3;6-8H,1-5H3;5-8H,1-4H3;5-6H,1-4H3;5-7H,1-4H3,(H,10,11);6*5-7H,1-4H3;2*5-6H,1-4H3
InChIKeyNBDNCQLQEDDIMZ-UHFFFAOYSA-N
XLogP47.19
TPSA382.80 Ų
H-Bond Donors1
H-Bond Acceptors34
Rotatable Bonds32
Heavy Atoms187
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002656.10
LogP ≤ 547.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1034

Analyze 2,7-di(propan-2-yl)-1,3-benzothiazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(2,4-di(propan-2-yl)-1,3-oxazole);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;2,5-di(propan-2-yl)-1,3,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole-4-carbonitrile;1,3-di(propan-2-yl)-1,2,4-triazole;2,4-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,7-di(propan-2-yl)-1,3-benzothiazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(2,4-di(propan-2-yl)-1,3-oxazole);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;2,5-di(propan-2-yl)-1,3,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole-4-carbonitrile;1,3-di(propan-2-yl)-1,2,4-triazole;2,4-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?
The IUPAC name of 2,7-di(propan-2-yl)-1,3-benzothiazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(2,4-di(propan-2-yl)-1,3-oxazole);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;2,5-di(propan-2-yl)-1,3,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole-4-carbonitrile;1,3-di(propan-2-yl)-1,2,4-triazole;2,4-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 159730247) is 2,7-di(propan-2-yl)-1,3-benzothiazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(2,4-di(propan-2-yl)-1,3-oxazole);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;2,5-di(propan-2-yl)-1,3,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole-4-carbonitrile;1,3-di(propan-2-yl)-1,2,4-triazole;2,4-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.
What is the SMILES notation for 2,7-di(propan-2-yl)-1,3-benzothiazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(2,4-di(propan-2-yl)-1,3-oxazole);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;2,5-di(propan-2-yl)-1,3,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole-4-carbonitrile;1,3-di(propan-2-yl)-1,2,4-triazole;2,4-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?
The canonical SMILES for 2,7-di(propan-2-yl)-1,3-benzothiazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(2,4-di(propan-2-yl)-1,3-oxazole);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;2,5-di(propan-2-yl)-1,3,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole-4-carbonitrile;1,3-di(propan-2-yl)-1,2,4-triazole;2,4-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 is CC(C)c1cc(C(C)C)[nH]n1.CC(C)c1cc(C(C)C)on1.CC(C)c1ccnc(C(C)C)c1.CC(C)c1cnc(C(C)C)o1.CC(C)c1cnn(C(C)C)n1.CC(C)c1cnnc(C(C)C)c1.CC(C)c1coc(C(C)C)n1.CC(C)c1coc(C(C)C)n1.CC(C)c1nc(C#N)c(C(C)C)s1.CC(C)c1nc(F)c(C(C)C)s1.CC(C)c1nc2cccc(C(C)C)c2s1.CC(C)c1ncn(C(C)C)n1.CC(C)c1nnc(C(C)C)o1.CC(C)c1nnc(C(C)C)s1.Cc1cc(C(C)C)n(C(C)C)n1.Cc1ccc(C(C)C)n1C(C)C.
What is the InChIKey of 2,7-di(propan-2-yl)-1,3-benzothiazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(2,4-di(propan-2-yl)-1,3-oxazole);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;2,5-di(propan-2-yl)-1,3,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole-4-carbonitrile;1,3-di(propan-2-yl)-1,2,4-triazole;2,4-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?
The InChIKey is NBDNCQLQEDDIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NS.C11H19N.C11H17N.C10H14N2S.C10H18N2.C10H16N2.C9H14FNS.C9H16N2.4C9H15NO.2C8H15N3.C8H14N2O.C8H14N2S/c1-8(2)10-6-5-7-11-12(10)15-13(14-11)9(3)4;1-8(2)11-7-6-10(5)12(11)9(3)4;1-8(2)10-5-6-12-11(7-10)9(3)4;1-6(2)9-8(5-11)12-10(13-9)7(3)4;1-7(2)10-6-9(5)11-12(10)8(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)8-5-9(7(3)4)11-10-8;2*1-6(2)8-5-11-9(10-8)7(3)4;1-6(2)8-5-10-9(11-8)7(3)4;1-6(2)8-5-9(7(3)4)11-10-8;1-6(2)8-9-5-11(10-8)7(3)4;1-6(2)8-5-9-11(10-8)7(3)4;2*1-5(2)7-9-10-8(11-7)6(3)4/h5-9H,1-4H3;6-9H,1-5H3;5-9H,1-4H3;6-7H,1-4H3;6-8H,1-5H3;5-8H,1-4H3;5-6H,1-4H3;5-7H,1-4H3,(H,10,11);6*5-7H,1-4H3;2*5-6H,1-4H3.
What are the key properties of 2,7-di(propan-2-yl)-1,3-benzothiazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(2,4-di(propan-2-yl)-1,3-oxazole);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;2,5-di(propan-2-yl)-1,3,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole-4-carbonitrile;1,3-di(propan-2-yl)-1,2,4-triazole;2,4-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?
2,7-di(propan-2-yl)-1,3-benzothiazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(2,4-di(propan-2-yl)-1,3-oxazole);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;2,5-di(propan-2-yl)-1,3,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole-4-carbonitrile;1,3-di(propan-2-yl)-1,2,4-triazole;2,4-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 has a molecular weight of 2656.10 g/mol, XLogP of 47.19, 32 rotatable bonds, 1 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-di(propan-2-yl)-1,3-benzothiazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(2,4-di(propan-2-yl)-1,3-oxazole);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;2,5-di(propan-2-yl)-1,3,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole-4-carbonitrile;1,3-di(propan-2-yl)-1,2,4-triazole;2,4-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 is sourced from PubChem (CID 159730247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).