2,5-dimethyl-1,3,4-thiadiazole;ethane;2-methyl-1H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole

C53H98N12O2S4 — CID 158642507

IUPAC2,5-dimethyl-1,3,4-thiadiazole;ethane;2-methyl-1H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC1=CCC=N1.Cc1cnc[nH]1.Cc1cncs1.Cc1cocn1.Cc1cscn1.Cc1ncc[nH]1.Cc1ncco1.Cc1nccs1.Cc1nnc(C)s1
InChIInChI=1S/C5H7N.C4H6N2S.2C4H6N2.2C4H5NO.3C4H5NS.8C2H6/c1-5-3-2-4-6-5;1-3-5-6-4(2)7-3;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-6-3-5-4;1-4-5-2-3-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;8*1-2/h3-4H,2H2,1H3;1-2H3;2*2-3H,1H3,(H,5,6);5*2-3H,1H3;8*1-2H3
InChIKeyIAOIGHGAPFXXQB-UHFFFAOYSA-N
MW1063.72 g/mol
LogP18.49
Rot. Bonds

About 2,5-dimethyl-1,3,4-thiadiazole;ethane;2-methyl-1H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole

2,5-dimethyl-1,3,4-thiadiazole;ethane;2-methyl-1H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole (PubChem CID 158642507) has the molecular formula C53H98N12O2S4 and a molecular weight of 1063.72 g/mol. Its IUPAC name is 2,5-dimethyl-1,3,4-thiadiazole;ethane;2-methyl-1H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole.

Molecular Properties

Compound Name2,5-dimethyl-1,3,4-thiadiazole;ethane;2-methyl-1H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole
PubChem CID158642507
Molecular FormulaC53H98N12O2S4
Molecular Weight1063.72 g/mol
Exact Mass1062.68
IUPAC Name2,5-dimethyl-1,3,4-thiadiazole;ethane;2-methyl-1H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC1=CCC=N1.Cc1cnc[nH]1.Cc1cncs1.Cc1cocn1.Cc1cscn1.Cc1ncc[nH]1.Cc1ncco1.Cc1nccs1.Cc1nnc(C)s1
InChIInChI=1S/C5H7N.C4H6N2S.2C4H6N2.2C4H5NO.3C4H5NS.8C2H6/c1-5-3-2-4-6-5;1-3-5-6-4(2)7-3;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-6-3-5-4;1-4-5-2-3-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;8*1-2/h3-4H,2H2,1H3;1-2H3;2*2-3H,1H3,(H,5,6);5*2-3H,1H3;8*1-2H3
InChIKeyIAOIGHGAPFXXQB-UHFFFAOYSA-N
XLogP18.49
TPSA186.23 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001063.72
LogP ≤ 518.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Analyze 2,5-dimethyl-1,3,4-thiadiazole;ethane;2-methyl-1H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1,3,4-thiadiazole;ethane;2-methyl-1H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole?
The IUPAC name of 2,5-dimethyl-1,3,4-thiadiazole;ethane;2-methyl-1H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole (CID 158642507) is 2,5-dimethyl-1,3,4-thiadiazole;ethane;2-methyl-1H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole.
What is the SMILES notation for 2,5-dimethyl-1,3,4-thiadiazole;ethane;2-methyl-1H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole?
The canonical SMILES for 2,5-dimethyl-1,3,4-thiadiazole;ethane;2-methyl-1H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole is CC.CC.CC.CC.CC.CC.CC.CC.CC1=CCC=N1.Cc1cnc[nH]1.Cc1cncs1.Cc1cocn1.Cc1cscn1.Cc1ncc[nH]1.Cc1ncco1.Cc1nccs1.Cc1nnc(C)s1.
What is the InChIKey of 2,5-dimethyl-1,3,4-thiadiazole;ethane;2-methyl-1H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole?
The InChIKey is IAOIGHGAPFXXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N.C4H6N2S.2C4H6N2.2C4H5NO.3C4H5NS.8C2H6/c1-5-3-2-4-6-5;1-3-5-6-4(2)7-3;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-6-3-5-4;1-4-5-2-3-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;8*1-2/h3-4H,2H2,1H3;1-2H3;2*2-3H,1H3,(H,5,6);5*2-3H,1H3;8*1-2H3.
What are the key properties of 2,5-dimethyl-1,3,4-thiadiazole;ethane;2-methyl-1H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole?
2,5-dimethyl-1,3,4-thiadiazole;ethane;2-methyl-1H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole has a molecular weight of 1063.72 g/mol, XLogP of 18.49, 0 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1,3,4-thiadiazole;ethane;2-methyl-1H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole is sourced from PubChem (CID 158642507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).