2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;heptakis(2,2-dimethylpropane);furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;2H-imidazole;1H-pyrazole;pyrazolo[1,5-a]pyridine;pyridazine;pyridine

C85H140N14OS2 — CID 160565662

IUPAC2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;heptakis(2,2-dimethylpropane);furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;2H-imidazole;1H-pyrazole;pyrazolo[1,5-a]pyridine;pyridazine;pyridine
SMILESC1=NCN=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)c1cncs1.CC(C)(C)c1nccs1.c1ccn2ccnc2c1.c1ccn2nccc2c1.c1ccncc1.c1ccnnc1.c1cn[nH]c1.c1cnc2occc2c1
InChIInChI=1S/2C7H6N2.C7H5NO.2C7H11NS.C5H5N.7C5H12.C4H4N2.2C3H4N2/c1-2-6-9-7(3-1)4-5-8-9;1-2-5-9-6-4-8-7(9)3-1;1-2-6-3-5-9-7(6)8-4-1;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-8-4-5-9-6;1-2-4-6-5-3-1;7*1-5(2,3)4;1-2-4-6-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1/h2*1-6H;1-5H;2*4-5H,1-3H3;1-5H;7*1-4H3;1-4H;1-2H,3H2;1-3H,(H,4,5)
InChIKeyQZWRCZONQGSBFD-UHFFFAOYSA-N
MW1438.29 g/mol
LogP25.81
Rot. Bonds

About 2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;heptakis(2,2-dimethylpropane);furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;2H-imidazole;1H-pyrazole;pyrazolo[1,5-a]pyridine;pyridazine;pyridine

2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;heptakis(2,2-dimethylpropane);furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;2H-imidazole;1H-pyrazole;pyrazolo[1,5-a]pyridine;pyridazine;pyridine (PubChem CID 160565662) has the molecular formula C85H140N14OS2 and a molecular weight of 1438.29 g/mol. Its IUPAC name is 2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;heptakis(2,2-dimethylpropane);furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;2H-imidazole;1H-pyrazole;pyrazolo[1,5-a]pyridine;pyridazine;pyridine.

Molecular Properties

Compound Name2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;heptakis(2,2-dimethylpropane);furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;2H-imidazole;1H-pyrazole;pyrazolo[1,5-a]pyridine;pyridazine;pyridine
PubChem CID160565662
Molecular FormulaC85H140N14OS2
Molecular Weight1438.29 g/mol
Exact Mass1437.08
IUPAC Name2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;heptakis(2,2-dimethylpropane);furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;2H-imidazole;1H-pyrazole;pyrazolo[1,5-a]pyridine;pyridazine;pyridine
SMILESC1=NCN=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)c1cncs1.CC(C)(C)c1nccs1.c1ccn2ccnc2c1.c1ccn2nccc2c1.c1ccncc1.c1ccnnc1.c1cn[nH]c1.c1cnc2occc2c1
InChIInChI=1S/2C7H6N2.C7H5NO.2C7H11NS.C5H5N.7C5H12.C4H4N2.2C3H4N2/c1-2-6-9-7(3-1)4-5-8-9;1-2-5-9-6-4-8-7(9)3-1;1-2-6-3-5-9-7(6)8-4-1;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-8-4-5-9-6;1-2-4-6-5-3-1;7*1-5(2,3)4;1-2-4-6-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1/h2*1-6H;1-5H;2*4-5H,1-3H3;1-5H;7*1-4H3;1-4H;1-2H,3H2;1-3H,(H,4,5)
InChIKeyQZWRCZONQGSBFD-UHFFFAOYSA-N
XLogP25.81
TPSA178.48 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001438.29
LogP ≤ 525.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Analyze 2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;heptakis(2,2-dimethylpropane);furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;2H-imidazole;1H-pyrazole;pyrazolo[1,5-a]pyridine;pyridazine;pyridine with MolForge

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Related Compounds

benzene;3-tert-butyl-1,2-benzoxazole;4-tert-butyl-1,2-benzoxazole;6-tert-butyl-1,2-benzoxazole;(1-tert-butylcyclopropyl)benzene;1-tert-butylimidazo[1,5-a]pyridine;6-tert-butyl-1H-indole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;tridecakis(2,2-dimethylpropane);furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;2-methylidene-1H-pyridine;pyrazine;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;2H-pyrrole
CID 163555103
1H-benzimidazole;1,3-benzothiazole;imidazo[1,2-a]pyridine;pyrazine;pyrazolo[1,5-a]pyridine;pyridazine;bis(pyridine);bis(1H-pyridin-2-one);pyrimidine;quinoline;quinoxaline;1,2,4-triazine;[1,2,4]triazolo[1,5-a]pyridine
CID 159128261
2,2-dimethylpropane;ethane;methane;tetrakis(2-methylpropane);pyrazolo[1,5-a]pyridine;pyridazine;pyridine;1H-pyridin-2-one;pyrimidine
CID 167538965
1,3-benzothiazole;icosakis(2,2-dimethylpropane);furan;1H-imidazole;1H-indole;3H-indole;indolizine;2H-isoindole;isoquinoline;1,2-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;quinoline;1,3,4-thiadiazole;1,3-thiazole;thiolane;thiophene
CID 159186770
tert-butylbenzene;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;hexakis(2,2-dimethylpropane);1H-imidazole;bis(1H-pyrazolo[3,4-d]pyrimidine);pyridine;2H-pyrrole;[1,3]thiazolo[5,4-b]pyridine
CID 163537637
1H-benzimidazole;1,2,3-benzothiadiazole;1-benzothiophene;furan;1H-imidazole;1H-indole;naphthalene;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;3H-pyrazole;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;pyrimidine;1H-pyrrole;quinoline;1,2-thiazole;1,3-thiazole;thiophene;1,3,5-triazine
CID 159285764
1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;tris(6H-cyclopenta[d]pyrimidine);furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;1H-indole;tris(2H-indole);indolizine;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrazine;pyrrolo[1,2-a]pyrimidine;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;tris(2H-pyrrolo[2,3-b]pyridine);pyrrolo[1,2-c]pyrimidine;thieno[2,3-b]pyridine
CID 158522517
icosakis(2,2-dimethylpropane);imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,2-c]pyrimidine;indolizine;methane;pyrazolo[1,5-a]pyrazine;pyrazolo[1,5-a]pyridine;pyrazolo[1,5-a]pyrimidine;pyrazolo[1,5-b]pyridazine;pyrazolo[1,5-c]pyrimidine;bis(pyrrolo[1,2-a]pyrazine);bis(pyrrolo[1,2-a]pyrimidine);bis(pyrrolo[1,2-b]pyridazine);bis(pyrrolo[1,2-c]pyrimidine)
CID 158842149
1H-benzimidazole;1,2,3-benzothiadiazole;1-benzothiophene;furan;1H-imidazole;1H-indole;isoquinoline;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;pyrimidine;1H-pyrrole;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thiophene;1,3,5-triazine;2H-triazole
CID 161427477
1H-benzimidazole;1,2,3-benzothiadiazole;1-benzothiophene;furan;bis(1H-imidazole);1H-indole;isoquinoline;methane;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;tris(pyrimidine);1H-pyrrole;quinazoline;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thiophene
CID 158213920
cinnoline;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-c]pyrimidine;1H-indazole;indolizine;2H-isoindole;isoquinoline;phthalazine;7H-purine;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-b]pyridazine;quinazoline;quinoline;quinoxaline;thieno[2,3-d]pyrimidine
CID 157407086
1H-cyclopenta[b]pyridine;ethane;furo[2,3-b]pyridine;methane;tris(2-methylpropane);thieno[2,3-b]pyridine
CID 162269691

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;heptakis(2,2-dimethylpropane);furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;2H-imidazole;1H-pyrazole;pyrazolo[1,5-a]pyridine;pyridazine;pyridine?
The IUPAC name of 2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;heptakis(2,2-dimethylpropane);furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;2H-imidazole;1H-pyrazole;pyrazolo[1,5-a]pyridine;pyridazine;pyridine (CID 160565662) is 2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;heptakis(2,2-dimethylpropane);furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;2H-imidazole;1H-pyrazole;pyrazolo[1,5-a]pyridine;pyridazine;pyridine.
What is the SMILES notation for 2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;heptakis(2,2-dimethylpropane);furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;2H-imidazole;1H-pyrazole;pyrazolo[1,5-a]pyridine;pyridazine;pyridine?
The canonical SMILES for 2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;heptakis(2,2-dimethylpropane);furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;2H-imidazole;1H-pyrazole;pyrazolo[1,5-a]pyridine;pyridazine;pyridine is C1=NCN=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)c1cncs1.CC(C)(C)c1nccs1.c1ccn2ccnc2c1.c1ccn2nccc2c1.c1ccncc1.c1ccnnc1.c1cn[nH]c1.c1cnc2occc2c1.
What is the InChIKey of 2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;heptakis(2,2-dimethylpropane);furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;2H-imidazole;1H-pyrazole;pyrazolo[1,5-a]pyridine;pyridazine;pyridine?
The InChIKey is QZWRCZONQGSBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H6N2.C7H5NO.2C7H11NS.C5H5N.7C5H12.C4H4N2.2C3H4N2/c1-2-6-9-7(3-1)4-5-8-9;1-2-5-9-6-4-8-7(9)3-1;1-2-6-3-5-9-7(6)8-4-1;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-8-4-5-9-6;1-2-4-6-5-3-1;7*1-5(2,3)4;1-2-4-6-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1/h2*1-6H;1-5H;2*4-5H,1-3H3;1-5H;7*1-4H3;1-4H;1-2H,3H2;1-3H,(H,4,5).
What are the key properties of 2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;heptakis(2,2-dimethylpropane);furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;2H-imidazole;1H-pyrazole;pyrazolo[1,5-a]pyridine;pyridazine;pyridine?
2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;heptakis(2,2-dimethylpropane);furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;2H-imidazole;1H-pyrazole;pyrazolo[1,5-a]pyridine;pyridazine;pyridine has a molecular weight of 1438.29 g/mol, XLogP of 25.81, 0 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;heptakis(2,2-dimethylpropane);furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;2H-imidazole;1H-pyrazole;pyrazolo[1,5-a]pyridine;pyridazine;pyridine is sourced from PubChem (CID 160565662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).