tert-butylbenzene;2-tert-butylpyrazine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;octakis(2,2-dimethylpropane);1H-imidazole;1,3-oxazole;bis(1H-pyrazolo[3,4-d]pyrimidine);pyridine;2H-pyrrole;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine

C108H176N22OS4 — CID 158844995

IUPACtert-butylbenzene;2-tert-butylpyrazine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;octakis(2,2-dimethylpropane);1H-imidazole;1,3-oxazole;bis(1H-pyrazolo[3,4-d]pyrimidine);pyridine;2H-pyrrole;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine
SMILESC1=CCN=C1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1ccccc1.CC(C)(C)c1cnccn1.CC(C)(C)c1nc2cccnc2s1.CC(C)(C)c1nncs1.c1c[nH]cn1.c1ccncc1.c1cnc2scnc2c1.c1cocn1.c1cscn1.c1ncc2cn[nH]c2n1.c1ncc2cn[nH]c2n1
InChIInChI=1S/C10H12N2S.C10H14.C8H12N2.C6H4N2S.C6H10N2S.2C5H4N4.C5H5N.8C5H12.C4H5N.C3H4N2.C3H3NO.C3H3NS/c1-10(2,3)9-12-7-5-4-6-11-8(7)13-9;1-10(2,3)9-7-5-4-6-8-9;1-8(2,3)7-6-9-4-5-10-7;1-2-5-6(7-3-1)9-4-8-5;1-6(2,3)5-8-7-4-9-5;2*1-4-2-8-9-5(4)7-3-6-1;1-2-4-6-5-3-1;8*1-5(2,3)4;1-2-4-5-3-1;3*1-2-5-3-4-1/h4-6H,1-3H3;4-8H,1-3H3;4-6H,1-3H3;1-4H;4H,1-3H3;2*1-3H,(H,6,7,8,9);1-5H;8*1-4H3;1-3H,4H2;1-3H,(H,4,5);2*1-3H
InChIKeyIYSDJOAXODCDNC-UHFFFAOYSA-N
MW1927.02 g/mol
LogP32.33
Rot. Bonds

About tert-butylbenzene;2-tert-butylpyrazine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;octakis(2,2-dimethylpropane);1H-imidazole;1,3-oxazole;bis(1H-pyrazolo[3,4-d]pyrimidine);pyridine;2H-pyrrole;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine

tert-butylbenzene;2-tert-butylpyrazine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;octakis(2,2-dimethylpropane);1H-imidazole;1,3-oxazole;bis(1H-pyrazolo[3,4-d]pyrimidine);pyridine;2H-pyrrole;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine (PubChem CID 158844995) has the molecular formula C108H176N22OS4 and a molecular weight of 1927.02 g/mol. Its IUPAC name is tert-butylbenzene;2-tert-butylpyrazine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;octakis(2,2-dimethylpropane);1H-imidazole;1,3-oxazole;bis(1H-pyrazolo[3,4-d]pyrimidine);pyridine;2H-pyrrole;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Nametert-butylbenzene;2-tert-butylpyrazine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;octakis(2,2-dimethylpropane);1H-imidazole;1,3-oxazole;bis(1H-pyrazolo[3,4-d]pyrimidine);pyridine;2H-pyrrole;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine
PubChem CID158844995
Molecular FormulaC108H176N22OS4
Molecular Weight1927.02 g/mol
Exact Mass1925.33
IUPAC Nametert-butylbenzene;2-tert-butylpyrazine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;octakis(2,2-dimethylpropane);1H-imidazole;1,3-oxazole;bis(1H-pyrazolo[3,4-d]pyrimidine);pyridine;2H-pyrrole;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine
SMILESC1=CCN=C1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1ccccc1.CC(C)(C)c1cnccn1.CC(C)(C)c1nc2cccnc2s1.CC(C)(C)c1nncs1.c1c[nH]cn1.c1ccncc1.c1cnc2scnc2c1.c1cocn1.c1cscn1.c1ncc2cn[nH]c2n1.c1ncc2cn[nH]c2n1
InChIInChI=1S/C10H12N2S.C10H14.C8H12N2.C6H4N2S.C6H10N2S.2C5H4N4.C5H5N.8C5H12.C4H5N.C3H4N2.C3H3NO.C3H3NS/c1-10(2,3)9-12-7-5-4-6-11-8(7)13-9;1-10(2,3)9-7-5-4-6-8-9;1-8(2,3)7-6-9-4-5-10-7;1-2-5-6(7-3-1)9-4-8-5;1-6(2,3)5-8-7-4-9-5;2*1-4-2-8-9-5(4)7-3-6-1;1-2-4-6-5-3-1;8*1-5(2,3)4;1-2-4-5-3-1;3*1-2-5-3-4-1/h4-6H,1-3H3;4-8H,1-3H3;4-6H,1-3H3;1-4H;4H,1-3H3;2*1-3H,(H,6,7,8,9);1-5H;8*1-4H3;1-3H,4H2;1-3H,(H,4,5);2*1-3H
InChIKeyIYSDJOAXODCDNC-UHFFFAOYSA-N
XLogP32.33
TPSA304.89 Ų
H-Bond Donors3
H-Bond Acceptors24
Rotatable Bonds
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001927.02
LogP ≤ 532.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1024

Analyze tert-butylbenzene;2-tert-butylpyrazine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;octakis(2,2-dimethylpropane);1H-imidazole;1,3-oxazole;bis(1H-pyrazolo[3,4-d]pyrimidine);pyridine;2H-pyrrole;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine with MolForge

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Related Compounds

cumene;methane;2-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1H-imidazole;bis(2-propan-2-yl-1,3-oxazole);2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole
CID 161987398
2-(2,6-difluorophenyl)-5-(2-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)-1H-pyrrolo[2,3-b]pyridine;2-[4-[2-(2,6-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methyl-1,3-thiazol-2-yl]-1,3-oxazole
CID 89650992
2-[2-(1H-imidazol-2-yl)-3-piperidin-1-yl-3-(1H-pyrazol-5-yl)-2-pyridin-2-yl-4-(thiadiazol-4-yl)-5-(1,3-thiazol-2-yl)pyrrol-1-yl]-1,3-oxazole
CID 141013614
2-[6-(1H-imidazol-2-yl)-3-pyrazin-2-yl-2-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-yl-7-(1,3-thiazol-2-yl)indol-1-yl]-1,3-oxazole
CID 141050919
2-[5-(1,3-benzothiazol-2-yl)-2-(1H-imidazol-2-yl)-1-(1H-pyrazol-5-yl)-2-pyridin-2-yl-4-(1,3-thiazolidin-2-yl)-6-(1,3-thiazol-2-yl)-4H-pyrimidin-3-yl]-1,3-oxazole
CID 141054325
2-[1-(9H-carbazol-1-yl)-1-(1H-imidazol-2-yl)-1-(7H-purin-2-yl)-3-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-1,2,5-thiadiazol-1-yl]-1,3-oxazole
CID 141080147
2-[2-(1H-benzimidazol-2-yl)-8-(1,3-benzothiazol-2-yl)-4-(1H-imidazol-2-yl)-1-pyrazin-2-yl-9-(1H-pyrazol-5-yl)-6-pyridazin-3-yl-3-pyrimidin-2-ylpurin-2-yl]-1,3-oxazole
CID 141157870
3-[7-(2,3-dihydrothiophen-4-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;ethane;N-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide
CID 145664868
2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1H-imidazo[4,5-b]pyridine;2,6-dimethyl-1H-imidazo[4,5-b]pyridine;2,6-dimethyl-3H-imidazo[4,5-c]pyridine;2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole
CID 157077798
acridine;1H-imidazole;isoquinoline;1,3-oxazole;phenazine;pyrazine;1H-pyrazole;pyridazine;pyrimidine;1H-pyrrole;quinoline;quinoxaline;thiophene
CID 157082421
2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;bis(4-propan-2-ylpyridazine);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 157105515
tert-butylbenzene;5-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;3-tert-butyl-4H-pyrazole;5-tert-butyl-1H-pyrazole;2-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-3H-pyrrole;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole
CID 157121562

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;2-tert-butylpyrazine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;octakis(2,2-dimethylpropane);1H-imidazole;1,3-oxazole;bis(1H-pyrazolo[3,4-d]pyrimidine);pyridine;2H-pyrrole;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of tert-butylbenzene;2-tert-butylpyrazine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;octakis(2,2-dimethylpropane);1H-imidazole;1,3-oxazole;bis(1H-pyrazolo[3,4-d]pyrimidine);pyridine;2H-pyrrole;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine (CID 158844995) is tert-butylbenzene;2-tert-butylpyrazine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;octakis(2,2-dimethylpropane);1H-imidazole;1,3-oxazole;bis(1H-pyrazolo[3,4-d]pyrimidine);pyridine;2H-pyrrole;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for tert-butylbenzene;2-tert-butylpyrazine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;octakis(2,2-dimethylpropane);1H-imidazole;1,3-oxazole;bis(1H-pyrazolo[3,4-d]pyrimidine);pyridine;2H-pyrrole;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for tert-butylbenzene;2-tert-butylpyrazine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;octakis(2,2-dimethylpropane);1H-imidazole;1,3-oxazole;bis(1H-pyrazolo[3,4-d]pyrimidine);pyridine;2H-pyrrole;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine is C1=CCN=C1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1ccccc1.CC(C)(C)c1cnccn1.CC(C)(C)c1nc2cccnc2s1.CC(C)(C)c1nncs1.c1c[nH]cn1.c1ccncc1.c1cnc2scnc2c1.c1cocn1.c1cscn1.c1ncc2cn[nH]c2n1.c1ncc2cn[nH]c2n1.
What is the InChIKey of tert-butylbenzene;2-tert-butylpyrazine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;octakis(2,2-dimethylpropane);1H-imidazole;1,3-oxazole;bis(1H-pyrazolo[3,4-d]pyrimidine);pyridine;2H-pyrrole;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is IYSDJOAXODCDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S.C10H14.C8H12N2.C6H4N2S.C6H10N2S.2C5H4N4.C5H5N.8C5H12.C4H5N.C3H4N2.C3H3NO.C3H3NS/c1-10(2,3)9-12-7-5-4-6-11-8(7)13-9;1-10(2,3)9-7-5-4-6-8-9;1-8(2,3)7-6-9-4-5-10-7;1-2-5-6(7-3-1)9-4-8-5;1-6(2,3)5-8-7-4-9-5;2*1-4-2-8-9-5(4)7-3-6-1;1-2-4-6-5-3-1;8*1-5(2,3)4;1-2-4-5-3-1;3*1-2-5-3-4-1/h4-6H,1-3H3;4-8H,1-3H3;4-6H,1-3H3;1-4H;4H,1-3H3;2*1-3H,(H,6,7,8,9);1-5H;8*1-4H3;1-3H,4H2;1-3H,(H,4,5);2*1-3H.
What are the key properties of tert-butylbenzene;2-tert-butylpyrazine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;octakis(2,2-dimethylpropane);1H-imidazole;1,3-oxazole;bis(1H-pyrazolo[3,4-d]pyrimidine);pyridine;2H-pyrrole;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine?
tert-butylbenzene;2-tert-butylpyrazine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;octakis(2,2-dimethylpropane);1H-imidazole;1,3-oxazole;bis(1H-pyrazolo[3,4-d]pyrimidine);pyridine;2H-pyrrole;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 1927.02 g/mol, XLogP of 32.33, 0 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;2-tert-butylpyrazine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;octakis(2,2-dimethylpropane);1H-imidazole;1,3-oxazole;bis(1H-pyrazolo[3,4-d]pyrimidine);pyridine;2H-pyrrole;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 158844995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).