4-benzyl-2-tert-butyl-1,3-thiazole;bis(2-tert-butyl-4,6-dimethylpyrimidine);2-tert-butyl-4-ethyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;tris(2-tert-butyl-5-methylpyridine);2-tert-butyl-5-methyl-1,3,4-thiadiazole;2-tert-butyl-4-methyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3-thiazole;2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-4-phenyl-1,3-thiazole;2-tert-butyl-5-phenyl-1,3-thiazole;2-tert-butylpyrimidine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole

C156H232N24O2S9 — CID 158717637

IUPAC4-benzyl-2-tert-butyl-1,3-thiazole;bis(2-tert-butyl-4,6-dimethylpyrimidine);2-tert-butyl-4-ethyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;tris(2-tert-butyl-5-methylpyridine);2-tert-butyl-5-methyl-1,3,4-thiadiazole;2-tert-butyl-4-methyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3-thiazole;2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-4-phenyl-1,3-thiazole;2-tert-butyl-5-phenyl-1,3-thiazole;2-tert-butylpyrimidine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole
SMILESCC(C)(C)c1nc(-c2ccccc2)cs1.CC(C)(C)c1nc(Cc2ccccc2)cs1.CC(C)(C)c1ncc(-c2ccccc2)s1.CC(C)(C)c1ncccn1.CC(C)(C)c1nccs1.CC(C)(C)c1nnco1.CC(C)(C)c1nncs1.CCc1csc(C(C)(C)C)n1.Cc1cc(C)nc(C(C)(C)C)n1.Cc1cc(C)nc(C(C)(C)C)n1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1cnc(C(C)(C)C)s1.Cc1csc(C(C)(C)C)n1.Cc1nnc(C(C)(C)C)o1.Cc1nnc(C(C)(C)C)s1
InChIInChI=1S/C14H17NS.2C13H15NS.2C10H16N2.3C10H15N.C9H15NS.C8H12N2.2C8H13NS.C7H12N2O.C7H12N2S.C7H11NS.C6H10N2O.C6H10N2S/c1-14(2,3)13-15-12(10-16-13)9-11-7-5-4-6-8-11;1-13(2,3)12-14-11(9-15-12)10-7-5-4-6-8-10;1-13(2,3)12-14-9-11(15-12)10-7-5-4-6-8-10;2*1-7-6-8(2)12-9(11-7)10(3,4)5;3*1-8-5-6-9(11-7-8)10(2,3)4;1-5-7-6-11-8(10-7)9(2,3)4;1-8(2,3)7-9-5-4-6-10-7;1-6-5-10-7(9-6)8(2,3)4;1-6-5-9-7(10-6)8(2,3)4;2*1-5-8-9-6(10-5)7(2,3)4;1-7(2,3)6-8-4-5-9-6;2*1-6(2,3)5-8-7-4-9-5/h4-8,10H,9H2,1-3H3;2*4-9H,1-3H3;2*6H,1-5H3;3*5-7H,1-4H3;6H,5H2,1-4H3;4-6H,1-3H3;2*5H,1-4H3;2*1-4H3;4-5H,1-3H3;2*4H,1-3H3
InChIKeyIJNCLLMQKPXWGH-UHFFFAOYSA-N
MW2764.34 g/mol
LogP44.83
Rot. Bonds5

About 4-benzyl-2-tert-butyl-1,3-thiazole;bis(2-tert-butyl-4,6-dimethylpyrimidine);2-tert-butyl-4-ethyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;tris(2-tert-butyl-5-methylpyridine);2-tert-butyl-5-methyl-1,3,4-thiadiazole;2-tert-butyl-4-methyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3-thiazole;2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-4-phenyl-1,3-thiazole;2-tert-butyl-5-phenyl-1,3-thiazole;2-tert-butylpyrimidine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole

4-benzyl-2-tert-butyl-1,3-thiazole;bis(2-tert-butyl-4,6-dimethylpyrimidine);2-tert-butyl-4-ethyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;tris(2-tert-butyl-5-methylpyridine);2-tert-butyl-5-methyl-1,3,4-thiadiazole;2-tert-butyl-4-methyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3-thiazole;2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-4-phenyl-1,3-thiazole;2-tert-butyl-5-phenyl-1,3-thiazole;2-tert-butylpyrimidine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole (PubChem CID 158717637) has the molecular formula C156H232N24O2S9 and a molecular weight of 2764.34 g/mol. Its IUPAC name is 4-benzyl-2-tert-butyl-1,3-thiazole;bis(2-tert-butyl-4,6-dimethylpyrimidine);2-tert-butyl-4-ethyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;tris(2-tert-butyl-5-methylpyridine);2-tert-butyl-5-methyl-1,3,4-thiadiazole;2-tert-butyl-4-methyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3-thiazole;2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-4-phenyl-1,3-thiazole;2-tert-butyl-5-phenyl-1,3-thiazole;2-tert-butylpyrimidine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole.

Molecular Properties

Compound Name4-benzyl-2-tert-butyl-1,3-thiazole;bis(2-tert-butyl-4,6-dimethylpyrimidine);2-tert-butyl-4-ethyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;tris(2-tert-butyl-5-methylpyridine);2-tert-butyl-5-methyl-1,3,4-thiadiazole;2-tert-butyl-4-methyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3-thiazole;2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-4-phenyl-1,3-thiazole;2-tert-butyl-5-phenyl-1,3-thiazole;2-tert-butylpyrimidine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole
PubChem CID158717637
Molecular FormulaC156H232N24O2S9
Molecular Weight2764.34 g/mol
Exact Mass2761.63
IUPAC Name4-benzyl-2-tert-butyl-1,3-thiazole;bis(2-tert-butyl-4,6-dimethylpyrimidine);2-tert-butyl-4-ethyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;tris(2-tert-butyl-5-methylpyridine);2-tert-butyl-5-methyl-1,3,4-thiadiazole;2-tert-butyl-4-methyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3-thiazole;2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-4-phenyl-1,3-thiazole;2-tert-butyl-5-phenyl-1,3-thiazole;2-tert-butylpyrimidine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole
SMILESCC(C)(C)c1nc(-c2ccccc2)cs1.CC(C)(C)c1nc(Cc2ccccc2)cs1.CC(C)(C)c1ncc(-c2ccccc2)s1.CC(C)(C)c1ncccn1.CC(C)(C)c1nccs1.CC(C)(C)c1nnco1.CC(C)(C)c1nncs1.CCc1csc(C(C)(C)C)n1.Cc1cc(C)nc(C(C)(C)C)n1.Cc1cc(C)nc(C(C)(C)C)n1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1cnc(C(C)(C)C)s1.Cc1csc(C(C)(C)C)n1.Cc1nnc(C(C)(C)C)o1.Cc1nnc(C(C)(C)C)s1
InChIInChI=1S/C14H17NS.2C13H15NS.2C10H16N2.3C10H15N.C9H15NS.C8H12N2.2C8H13NS.C7H12N2O.C7H12N2S.C7H11NS.C6H10N2O.C6H10N2S/c1-14(2,3)13-15-12(10-16-13)9-11-7-5-4-6-8-11;1-13(2,3)12-14-11(9-15-12)10-7-5-4-6-8-10;1-13(2,3)12-14-9-11(15-12)10-7-5-4-6-8-10;2*1-7-6-8(2)12-9(11-7)10(3,4)5;3*1-8-5-6-9(11-7-8)10(2,3)4;1-5-7-6-11-8(10-7)9(2,3)4;1-8(2,3)7-9-5-4-6-10-7;1-6-5-10-7(9-6)8(2,3)4;1-6-5-9-7(10-6)8(2,3)4;2*1-5-8-9-6(10-5)7(2,3)4;1-7(2,3)6-8-4-5-9-6;2*1-6(2,3)5-8-7-4-9-5/h4-8,10H,9H2,1-3H3;2*4-9H,1-3H3;2*6H,1-5H3;3*5-7H,1-4H3;6H,5H2,1-4H3;4-6H,1-3H3;2*5H,1-4H3;2*1-4H3;4-5H,1-3H3;2*4H,1-3H3
InChIKeyIJNCLLMQKPXWGH-UHFFFAOYSA-N
XLogP44.83
TPSA335.64 Ų
H-Bond Donors
H-Bond Acceptors35
Rotatable Bonds5
Heavy Atoms191
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002764.34
LogP ≤ 544.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1035

Analyze 4-benzyl-2-tert-butyl-1,3-thiazole;bis(2-tert-butyl-4,6-dimethylpyrimidine);2-tert-butyl-4-ethyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;tris(2-tert-butyl-5-methylpyridine);2-tert-butyl-5-methyl-1,3,4-thiadiazole;2-tert-butyl-4-methyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3-thiazole;2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-4-phenyl-1,3-thiazole;2-tert-butyl-5-phenyl-1,3-thiazole;2-tert-butylpyrimidine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-tert-butyl-1,3-thiazole;bis(2-tert-butyl-4,6-dimethylpyrimidine);2-tert-butyl-4-ethyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;tris(2-tert-butyl-5-methylpyridine);2-tert-butyl-5-methyl-1,3,4-thiadiazole;2-tert-butyl-4-methyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3-thiazole;2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-4-phenyl-1,3-thiazole;2-tert-butyl-5-phenyl-1,3-thiazole;2-tert-butylpyrimidine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole?
The IUPAC name of 4-benzyl-2-tert-butyl-1,3-thiazole;bis(2-tert-butyl-4,6-dimethylpyrimidine);2-tert-butyl-4-ethyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;tris(2-tert-butyl-5-methylpyridine);2-tert-butyl-5-methyl-1,3,4-thiadiazole;2-tert-butyl-4-methyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3-thiazole;2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-4-phenyl-1,3-thiazole;2-tert-butyl-5-phenyl-1,3-thiazole;2-tert-butylpyrimidine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole (CID 158717637) is 4-benzyl-2-tert-butyl-1,3-thiazole;bis(2-tert-butyl-4,6-dimethylpyrimidine);2-tert-butyl-4-ethyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;tris(2-tert-butyl-5-methylpyridine);2-tert-butyl-5-methyl-1,3,4-thiadiazole;2-tert-butyl-4-methyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3-thiazole;2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-4-phenyl-1,3-thiazole;2-tert-butyl-5-phenyl-1,3-thiazole;2-tert-butylpyrimidine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole.
What is the SMILES notation for 4-benzyl-2-tert-butyl-1,3-thiazole;bis(2-tert-butyl-4,6-dimethylpyrimidine);2-tert-butyl-4-ethyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;tris(2-tert-butyl-5-methylpyridine);2-tert-butyl-5-methyl-1,3,4-thiadiazole;2-tert-butyl-4-methyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3-thiazole;2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-4-phenyl-1,3-thiazole;2-tert-butyl-5-phenyl-1,3-thiazole;2-tert-butylpyrimidine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole?
The canonical SMILES for 4-benzyl-2-tert-butyl-1,3-thiazole;bis(2-tert-butyl-4,6-dimethylpyrimidine);2-tert-butyl-4-ethyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;tris(2-tert-butyl-5-methylpyridine);2-tert-butyl-5-methyl-1,3,4-thiadiazole;2-tert-butyl-4-methyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3-thiazole;2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-4-phenyl-1,3-thiazole;2-tert-butyl-5-phenyl-1,3-thiazole;2-tert-butylpyrimidine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole is CC(C)(C)c1nc(-c2ccccc2)cs1.CC(C)(C)c1nc(Cc2ccccc2)cs1.CC(C)(C)c1ncc(-c2ccccc2)s1.CC(C)(C)c1ncccn1.CC(C)(C)c1nccs1.CC(C)(C)c1nnco1.CC(C)(C)c1nncs1.CCc1csc(C(C)(C)C)n1.Cc1cc(C)nc(C(C)(C)C)n1.Cc1cc(C)nc(C(C)(C)C)n1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1cnc(C(C)(C)C)s1.Cc1csc(C(C)(C)C)n1.Cc1nnc(C(C)(C)C)o1.Cc1nnc(C(C)(C)C)s1.
What is the InChIKey of 4-benzyl-2-tert-butyl-1,3-thiazole;bis(2-tert-butyl-4,6-dimethylpyrimidine);2-tert-butyl-4-ethyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;tris(2-tert-butyl-5-methylpyridine);2-tert-butyl-5-methyl-1,3,4-thiadiazole;2-tert-butyl-4-methyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3-thiazole;2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-4-phenyl-1,3-thiazole;2-tert-butyl-5-phenyl-1,3-thiazole;2-tert-butylpyrimidine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole?
The InChIKey is IJNCLLMQKPXWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS.2C13H15NS.2C10H16N2.3C10H15N.C9H15NS.C8H12N2.2C8H13NS.C7H12N2O.C7H12N2S.C7H11NS.C6H10N2O.C6H10N2S/c1-14(2,3)13-15-12(10-16-13)9-11-7-5-4-6-8-11;1-13(2,3)12-14-11(9-15-12)10-7-5-4-6-8-10;1-13(2,3)12-14-9-11(15-12)10-7-5-4-6-8-10;2*1-7-6-8(2)12-9(11-7)10(3,4)5;3*1-8-5-6-9(11-7-8)10(2,3)4;1-5-7-6-11-8(10-7)9(2,3)4;1-8(2,3)7-9-5-4-6-10-7;1-6-5-10-7(9-6)8(2,3)4;1-6-5-9-7(10-6)8(2,3)4;2*1-5-8-9-6(10-5)7(2,3)4;1-7(2,3)6-8-4-5-9-6;2*1-6(2,3)5-8-7-4-9-5/h4-8,10H,9H2,1-3H3;2*4-9H,1-3H3;2*6H,1-5H3;3*5-7H,1-4H3;6H,5H2,1-4H3;4-6H,1-3H3;2*5H,1-4H3;2*1-4H3;4-5H,1-3H3;2*4H,1-3H3.
What are the key properties of 4-benzyl-2-tert-butyl-1,3-thiazole;bis(2-tert-butyl-4,6-dimethylpyrimidine);2-tert-butyl-4-ethyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;tris(2-tert-butyl-5-methylpyridine);2-tert-butyl-5-methyl-1,3,4-thiadiazole;2-tert-butyl-4-methyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3-thiazole;2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-4-phenyl-1,3-thiazole;2-tert-butyl-5-phenyl-1,3-thiazole;2-tert-butylpyrimidine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole?
4-benzyl-2-tert-butyl-1,3-thiazole;bis(2-tert-butyl-4,6-dimethylpyrimidine);2-tert-butyl-4-ethyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;tris(2-tert-butyl-5-methylpyridine);2-tert-butyl-5-methyl-1,3,4-thiadiazole;2-tert-butyl-4-methyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3-thiazole;2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-4-phenyl-1,3-thiazole;2-tert-butyl-5-phenyl-1,3-thiazole;2-tert-butylpyrimidine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole has a molecular weight of 2764.34 g/mol, XLogP of 44.83, 5 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-tert-butyl-1,3-thiazole;bis(2-tert-butyl-4,6-dimethylpyrimidine);2-tert-butyl-4-ethyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;tris(2-tert-butyl-5-methylpyridine);2-tert-butyl-5-methyl-1,3,4-thiadiazole;2-tert-butyl-4-methyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3-thiazole;2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-4-phenyl-1,3-thiazole;2-tert-butyl-5-phenyl-1,3-thiazole;2-tert-butylpyrimidine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole is sourced from PubChem (CID 158717637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).