tetrakis(2,2-dimethylpropane);1H-imidazole;methane;1,3-oxazole;pyridine;1,3-thiazole

C38H79N5OS — CID 159817599

IUPACtetrakis(2,2-dimethylpropane);1H-imidazole;methane;1,3-oxazole;pyridine;1,3-thiazole
SMILESC.C.C.C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.c1c[nH]cn1.c1ccncc1.c1cocn1.c1cscn1
InChIInChI=1S/C5H5N.4C5H12.C3H4N2.C3H3NO.C3H3NS.4CH4/c1-2-4-6-5-3-1;4*1-5(2,3)4;3*1-2-5-3-4-1;;;;/h1-5H;4*1-4H3;1-3H,(H,4,5);2*1-3H;4*1H4
InChIKeyNLUUKYFLOFUTHP-UHFFFAOYSA-N
MW654.15 g/mol
LogP14.06
Rot. Bonds

About tetrakis(2,2-dimethylpropane);1H-imidazole;methane;1,3-oxazole;pyridine;1,3-thiazole

tetrakis(2,2-dimethylpropane);1H-imidazole;methane;1,3-oxazole;pyridine;1,3-thiazole (PubChem CID 159817599) has the molecular formula C38H79N5OS and a molecular weight of 654.15 g/mol. Its IUPAC name is tetrakis(2,2-dimethylpropane);1H-imidazole;methane;1,3-oxazole;pyridine;1,3-thiazole.

Molecular Properties

Compound Nametetrakis(2,2-dimethylpropane);1H-imidazole;methane;1,3-oxazole;pyridine;1,3-thiazole
PubChem CID159817599
Molecular FormulaC38H79N5OS
Molecular Weight654.15 g/mol
Exact Mass653.60
IUPAC Nametetrakis(2,2-dimethylpropane);1H-imidazole;methane;1,3-oxazole;pyridine;1,3-thiazole
SMILESC.C.C.C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.c1c[nH]cn1.c1ccncc1.c1cocn1.c1cscn1
InChIInChI=1S/C5H5N.4C5H12.C3H4N2.C3H3NO.C3H3NS.4CH4/c1-2-4-6-5-3-1;4*1-5(2,3)4;3*1-2-5-3-4-1;;;;/h1-5H;4*1-4H3;1-3H,(H,4,5);2*1-3H;4*1H4
InChIKeyNLUUKYFLOFUTHP-UHFFFAOYSA-N
XLogP14.06
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.15
LogP ≤ 514.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-(1H-imidazol-2-yl)-1-(1,3-oxazol-2-yl)-1-pyridin-2-yl-1-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)thiadiazol-1-yl]oxadiazole
CID 141142198
ethane;5-methyl-1H-imidazole;5-methyl-1,3-oxazole;3-methyloxolane;3-methylpyridine;5-methylpyrimidine;5-methyl-3H-pyrrole;5-methyl-1,3-thiazole
CID 157291042
1H-imidazole;1,3-oxazole;pyrazine;bis(1H-pyrazole);pyridine;pyrimidine;1,3-thiazole;bis(1H-1,2,4-triazole)
CID 157434477
1H-imidazole;undecakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;pyridine;pyrimidine;1,2,4-thiadiazole;1,3,4-thiadiazole;bis(1,3-thiazole);1,3,5-triazine
CID 157528866
ethane;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1,3-oxazole;3-propan-2-yloxolane;3-propan-2-ylpyridine;5-propan-2-yl-1,3-thiazole
CID 157682153
1H-imidazole;1,3-oxazole;1H-pyrrole;1,3-thiazole
CID 157741645
ethane;2-methyl-3,4-dihydro-2H-pyrrole;5-methyl-1H-imidazole;5-methyl-1,3-oxazole;3-methyloxolane;3-methylpyridine;5-methylpyrimidine;5-methyl-3H-pyrrole;5-methyl-1,3-thiazole
CID 157811678
1H-imidazole;decakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;pyridine;pyrimidine;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;1,3,5-triazine
CID 157913383
1H-imidazole;1,2-oxazole;1,3-oxazole;propane;pyridine;1,3-thiazole;thiophene
CID 158040610
1,2-dimethylimidazole;2,5-dimethyl-1,3-thiazole;methane;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;3-methyl-4H-pyrazole;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole
CID 158053582
ethane;1H-imidazole;1,2-oxazole;1,3-oxazole;pyridine;1,3-thiazole;thiophene
CID 158350647
2-(2-methylpropyl)pyrimidine;N-propan-2-yl-1H-benzimidazol-2-amine;N-propan-2-yl-1H-imidazol-2-amine;N-propan-2-yl-1,3-oxazol-2-amine;N-propan-2-yl-1,3-thiazol-2-amine
CID 158455411

Frequently Asked Questions

What is the IUPAC name of tetrakis(2,2-dimethylpropane);1H-imidazole;methane;1,3-oxazole;pyridine;1,3-thiazole?
The IUPAC name of tetrakis(2,2-dimethylpropane);1H-imidazole;methane;1,3-oxazole;pyridine;1,3-thiazole (CID 159817599) is tetrakis(2,2-dimethylpropane);1H-imidazole;methane;1,3-oxazole;pyridine;1,3-thiazole.
What is the SMILES notation for tetrakis(2,2-dimethylpropane);1H-imidazole;methane;1,3-oxazole;pyridine;1,3-thiazole?
The canonical SMILES for tetrakis(2,2-dimethylpropane);1H-imidazole;methane;1,3-oxazole;pyridine;1,3-thiazole is C.C.C.C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.c1c[nH]cn1.c1ccncc1.c1cocn1.c1cscn1.
What is the InChIKey of tetrakis(2,2-dimethylpropane);1H-imidazole;methane;1,3-oxazole;pyridine;1,3-thiazole?
The InChIKey is NLUUKYFLOFUTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.4C5H12.C3H4N2.C3H3NO.C3H3NS.4CH4/c1-2-4-6-5-3-1;4*1-5(2,3)4;3*1-2-5-3-4-1;;;;/h1-5H;4*1-4H3;1-3H,(H,4,5);2*1-3H;4*1H4.
What are the key properties of tetrakis(2,2-dimethylpropane);1H-imidazole;methane;1,3-oxazole;pyridine;1,3-thiazole?
tetrakis(2,2-dimethylpropane);1H-imidazole;methane;1,3-oxazole;pyridine;1,3-thiazole has a molecular weight of 654.15 g/mol, XLogP of 14.06, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2,2-dimethylpropane);1H-imidazole;methane;1,3-oxazole;pyridine;1,3-thiazole is sourced from PubChem (CID 159817599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).