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Ethane;1-methylimidazole;2-methyl-1H-imidazole;5-methyl-1H-imidazole;4-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;1H-pyrazole

C29H43N11OS2 — CID 157476081

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACethane;1-methylimidazole;2-methyl-1H-imidazole;5-methyl-1H-imidazole;4-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;1H-pyrazole
SMILESCC.Cc1cnc[nH]1.Cc1cocn1.Cc1cscn1.Cc1ncc[nH]1.Cc1nccs1.Cn1ccnc1.c1cn[nH]c1
InChIInChI=1S/3C4H6N2.C4H5NO.2C4H5NS.C3H4N2.C2H6/c1-4-2-5-3-6-4;1-6-3-2-5-4-6;1-4-5-2-3-6-4;2*1-4-2-6-3-5-4;1-4-5-2-3-6-4;1-2-4-5-3-1;1-2/h2-3H,1H3,(H,5,6);2-4H,1H3;2-3H,1H3,(H,5,6);3*2-3H,1H3;1-3H,(H,4,5);1-2H3
InChIKeyBVPKUKCGJHLPGI-UHFFFAOYSA-N
MW625.87 g/mol
LogP7.18
Rot. Bonds

About Ethane;1-methylimidazole;2-methyl-1H-imidazole;5-methyl-1H-imidazole;4-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;1H-pyrazole

Ethane;1-methylimidazole;2-methyl-1H-imidazole;5-methyl-1H-imidazole;4-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;1H-pyrazole (PubChem CID 157476081) has the molecular formula C29H43N11OS2 and a molecular weight of 625.87 g/mol. Its IUPAC name is ethane;1-methylimidazole;2-methyl-1H-imidazole;5-methyl-1H-imidazole;4-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;1H-pyrazole.

Molecular Properties

Compound NameEthane;1-methylimidazole;2-methyl-1H-imidazole;5-methyl-1H-imidazole;4-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;1H-pyrazole
PubChem CID157476081
Molecular FormulaC29H43N11OS2
Molecular Weight625.87 g/mol
Exact Mass625.31
IUPAC Nameethane;1-methylimidazole;2-methyl-1H-imidazole;5-methyl-1H-imidazole;4-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;1H-pyrazole
SMILESCC.Cc1cnc[nH]1.Cc1cocn1.Cc1cscn1.Cc1ncc[nH]1.Cc1nccs1.Cn1ccnc1.c1cn[nH]c1
InChIInChI=1S/3C4H6N2.C4H5NO.2C4H5NS.C3H4N2.C2H6/c1-4-2-5-3-6-4;1-6-3-2-5-4-6;1-4-5-2-3-6-4;2*1-4-2-6-3-5-4;1-4-5-2-3-6-4;1-2-4-5-3-1;1-2/h2-3H,1H3,(H,5,6);2-4H,1H3;2-3H,1H3,(H,5,6);3*2-3H,1H3;1-3H,(H,4,5);1-2H3
InChIKeyBVPKUKCGJHLPGI-UHFFFAOYSA-N
XLogP7.18
TPSA155.67 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms43
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500625.87
LogP ≤ 57.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze Ethane;1-methylimidazole;2-methyl-1H-imidazole;5-methyl-1H-imidazole;4-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;1H-pyrazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of Ethane;1-methylimidazole;2-methyl-1H-imidazole;5-methyl-1H-imidazole;4-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;1H-pyrazole?
The IUPAC name of Ethane;1-methylimidazole;2-methyl-1H-imidazole;5-methyl-1H-imidazole;4-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;1H-pyrazole (CID 157476081) is ethane;1-methylimidazole;2-methyl-1H-imidazole;5-methyl-1H-imidazole;4-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;1H-pyrazole.
What is the SMILES notation for Ethane;1-methylimidazole;2-methyl-1H-imidazole;5-methyl-1H-imidazole;4-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;1H-pyrazole?
The canonical SMILES for Ethane;1-methylimidazole;2-methyl-1H-imidazole;5-methyl-1H-imidazole;4-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;1H-pyrazole is CC.Cc1cnc[nH]1.Cc1cocn1.Cc1cscn1.Cc1ncc[nH]1.Cc1nccs1.Cn1ccnc1.c1cn[nH]c1.
What is the InChIKey of Ethane;1-methylimidazole;2-methyl-1H-imidazole;5-methyl-1H-imidazole;4-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;1H-pyrazole?
The InChIKey is BVPKUKCGJHLPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H6N2.C4H5NO.2C4H5NS.C3H4N2.C2H6/c1-4-2-5-3-6-4;1-6-3-2-5-4-6;1-4-5-2-3-6-4;2*1-4-2-6-3-5-4;1-4-5-2-3-6-4;1-2-4-5-3-1;1-2/h2-3H,1H3,(H,5,6);2-4H,1H3;2-3H,1H3,(H,5,6);3*2-3H,1H3;1-3H,(H,4,5);1-2H3.
What are the key properties of Ethane;1-methylimidazole;2-methyl-1H-imidazole;5-methyl-1H-imidazole;4-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;1H-pyrazole?
Ethane;1-methylimidazole;2-methyl-1H-imidazole;5-methyl-1H-imidazole;4-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;1H-pyrazole has a molecular weight of 625.87 g/mol, XLogP of 7.18, 0 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for Ethane;1-methylimidazole;2-methyl-1H-imidazole;5-methyl-1H-imidazole;4-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;1H-pyrazole is sourced from PubChem (CID 157476081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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