2,5-dimethylfuran;1,5-dimethylpyrazole;1,2-dimethylpyrrole;2-methylfuran;2-methyl-1,3-oxazole;2-methylpyrazine;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole

C46H60N10O3S — CID 157063733

IUPAC2,5-dimethylfuran;1,5-dimethylpyrazole;1,2-dimethylpyrrole;2-methylfuran;2-methyl-1,3-oxazole;2-methylpyrazine;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole
SMILESCc1ccc(C)o1.Cc1ccccn1.Cc1cccn1C.Cc1ccco1.Cc1ccnn1C.Cc1cnccn1.Cc1ncccn1.Cc1ncco1.Cc1nccs1
InChIInChI=1S/C6H9N.C6H7N.C6H8O.C5H8N2.2C5H6N2.C5H6O.C4H5NO.C4H5NS/c1-6-4-3-5-7(6)2;1-6-4-2-3-5-7-6;1-5-3-4-6(2)7-5;1-5-3-4-6-7(5)2;1-5-4-6-2-3-7-5;1-5-6-3-2-4-7-5;1-5-3-2-4-6-5;2*1-4-5-2-3-6-4/h3-5H,1-2H3;2-5H,1H3;2*3-4H,1-2H3;2*2-4H,1H3;2-4H,1H3;2*2-3H,1H3
InChIKeyABPZBRKRQUJJGZ-UHFFFAOYSA-N
MW833.12 g/mol
LogP10.94
Rot. Bonds

About 2,5-dimethylfuran;1,5-dimethylpyrazole;1,2-dimethylpyrrole;2-methylfuran;2-methyl-1,3-oxazole;2-methylpyrazine;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole

2,5-dimethylfuran;1,5-dimethylpyrazole;1,2-dimethylpyrrole;2-methylfuran;2-methyl-1,3-oxazole;2-methylpyrazine;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole (PubChem CID 157063733) has the molecular formula C46H60N10O3S and a molecular weight of 833.12 g/mol. Its IUPAC name is 2,5-dimethylfuran;1,5-dimethylpyrazole;1,2-dimethylpyrrole;2-methylfuran;2-methyl-1,3-oxazole;2-methylpyrazine;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole.

Molecular Properties

Compound Name2,5-dimethylfuran;1,5-dimethylpyrazole;1,2-dimethylpyrrole;2-methylfuran;2-methyl-1,3-oxazole;2-methylpyrazine;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole
PubChem CID157063733
Molecular FormulaC46H60N10O3S
Molecular Weight833.12 g/mol
Exact Mass832.46
IUPAC Name2,5-dimethylfuran;1,5-dimethylpyrazole;1,2-dimethylpyrrole;2-methylfuran;2-methyl-1,3-oxazole;2-methylpyrazine;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole
SMILESCc1ccc(C)o1.Cc1ccccn1.Cc1cccn1C.Cc1ccco1.Cc1ccnn1C.Cc1cnccn1.Cc1ncccn1.Cc1ncco1.Cc1nccs1
InChIInChI=1S/C6H9N.C6H7N.C6H8O.C5H8N2.2C5H6N2.C5H6O.C4H5NO.C4H5NS/c1-6-4-3-5-7(6)2;1-6-4-2-3-5-7-6;1-5-3-4-6(2)7-5;1-5-3-4-6-7(5)2;1-5-4-6-2-3-7-5;1-5-6-3-2-4-7-5;1-5-3-2-4-6-5;2*1-4-5-2-3-6-4/h3-5H,1-2H3;2-5H,1H3;2*3-4H,1-2H3;2*2-4H,1H3;2-4H,1H3;2*2-3H,1H3
InChIKeyABPZBRKRQUJJGZ-UHFFFAOYSA-N
XLogP10.94
TPSA152.40 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500833.12
LogP ≤ 510.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 2,5-dimethylfuran;1,5-dimethylpyrazole;1,2-dimethylpyrrole;2-methylfuran;2-methyl-1,3-oxazole;2-methylpyrazine;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 157298273
CID 157298273
4,5-Dimethylpyrimidine;2-ethoxy-6-methylpyridine;2-ethyl-3-methylpyridine;4-methoxy-3-methylpyridazine;3-methyl-2-(2-methylpropyl)pyridine;3-methyl-2-(1-methylpyrazol-4-yl)pyridine;2-(3-methyl-2-pyridinyl)-1,3-oxazole;4-[(3-methyl-2-pyridinyl)oxymethyl]-1,3-thiazole;2-methylpyrimidine;1-methyl-5-(trifluoromethyl)pyrazole
CID 159382977
2,3-dimethyl-1,3-benzothiazol-3-ium;2,3-dimethyl-2H-1,3-benzoxazole;2,3-dimethyl-1,3-oxazol-3-ium;1,2-dimethylpyrimidin-1-ium;1,2-dimethyl-5-(trifluoromethyl)pyridin-1-ium;3-methyldithiol-1-ium;2-methyl-1,3-oxazole;2-methylpyrylium;2-methylthiopyrylium;1,2,3-trimethylbenzimidazol-3-ium;1,2,3-trimethyl-2H-imidazole-1,3-diium;1,2,3-trimethylpyrazol-1-ium;1,4,5-trimethyl-1,2,4-triazol-4-ium
CID 160116091
CID 161272938
CID 161272938
4-tert-butyl-2,5-dimethyl-1,3-thiazole;4-tert-butyl-1-(2-methylpropyl)pyrazole;2-tert-butyl-5-methylthiophene;4-[(4-tert-butylthiophen-2-yl)methyl]morpholine;4-tert-butyl-2-(2,2,2-trifluoroethyl)triazole;cumene;2-cyclopropyl-5-propan-2-yl-1,3-oxazole;3-cyclopropyl-1-propan-2-yl-1,2,4-triazole;3,4-dimethyl-1-propan-2-ylpyrazole;N,N-dimethyl-1-(1-propan-2-yl-1,2,4-triazol-3-yl)methanamine;2-ethyl-4-propan-2-yl-1,3-thiazole;5-ethyl-3-propyl-1,2,4-oxadiazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-2-propan-2-ylthiophene;2-[(4-methylpyrazol-1-yl)methyl]pyridine;3-propan-2-ylfuran;4-propan-2-yl-1-propylpyrazole;3-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
CID 161459908
4-tert-butyl-2,5-dimethyl-1,3-thiazole;4-tert-butyl-1-(2-methylpropyl)pyrazole;2-tert-butyl-5-methylthiophene;4-[(4-tert-butylthiophen-2-yl)methyl]morpholine;4-tert-butyl-2-(2,2,2-trifluoroethyl)triazole;cumene;2-cyclopropyl-5-propan-2-yl-1,3-oxazole;3-cyclopropyl-1-propan-2-yl-1,2,4-triazole;3,4-dimethyl-1-propan-2-ylpyrazole;N,N-dimethyl-1-(1-propan-2-yl-1,2,4-triazol-3-yl)methanamine;2-ethyl-4-propan-2-yl-1,3-thiazole;5-ethyl-3-propyl-1,2,4-oxadiazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-2-propan-2-ylthiophene;3-propan-2-ylfuran;4-propan-2-yl-1-propylpyrazole;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;3-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
CID 161686232
N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 57428421
N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
CID 57428471
N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(2-methyl-3-oxopiperazin-1-yl)acetamide;N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(3-morpholin-4-ylpyrrolidin-1-yl)acetamide
CID 67052222
furan;tridecakis(2-methylpropane);1,3-oxazole;pyrazine;bis(pyridine);pyrimidine;1H-pyrrole;bis(3H-pyrrole);1,3-thiazole;thiophene
CID 157055612
1,2-Dimethylimidazole;1,2-dimethylpyrrole;2-methylfuran;2-methyl-1,3-oxazole;2-methyl-1,3-thiazole;2-methylthiophene
CID 157063946
2-Methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;5-methylthiadiazole;2-methyl-1,3-thiazole
CID 157071653

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylfuran;1,5-dimethylpyrazole;1,2-dimethylpyrrole;2-methylfuran;2-methyl-1,3-oxazole;2-methylpyrazine;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole?
The IUPAC name of 2,5-dimethylfuran;1,5-dimethylpyrazole;1,2-dimethylpyrrole;2-methylfuran;2-methyl-1,3-oxazole;2-methylpyrazine;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole (CID 157063733) is 2,5-dimethylfuran;1,5-dimethylpyrazole;1,2-dimethylpyrrole;2-methylfuran;2-methyl-1,3-oxazole;2-methylpyrazine;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole.
What is the SMILES notation for 2,5-dimethylfuran;1,5-dimethylpyrazole;1,2-dimethylpyrrole;2-methylfuran;2-methyl-1,3-oxazole;2-methylpyrazine;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole?
The canonical SMILES for 2,5-dimethylfuran;1,5-dimethylpyrazole;1,2-dimethylpyrrole;2-methylfuran;2-methyl-1,3-oxazole;2-methylpyrazine;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole is Cc1ccc(C)o1.Cc1ccccn1.Cc1cccn1C.Cc1ccco1.Cc1ccnn1C.Cc1cnccn1.Cc1ncccn1.Cc1ncco1.Cc1nccs1.
What is the InChIKey of 2,5-dimethylfuran;1,5-dimethylpyrazole;1,2-dimethylpyrrole;2-methylfuran;2-methyl-1,3-oxazole;2-methylpyrazine;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole?
The InChIKey is ABPZBRKRQUJJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N.C6H7N.C6H8O.C5H8N2.2C5H6N2.C5H6O.C4H5NO.C4H5NS/c1-6-4-3-5-7(6)2;1-6-4-2-3-5-7-6;1-5-3-4-6(2)7-5;1-5-3-4-6-7(5)2;1-5-4-6-2-3-7-5;1-5-6-3-2-4-7-5;1-5-3-2-4-6-5;2*1-4-5-2-3-6-4/h3-5H,1-2H3;2-5H,1H3;2*3-4H,1-2H3;2*2-4H,1H3;2-4H,1H3;2*2-3H,1H3.
What are the key properties of 2,5-dimethylfuran;1,5-dimethylpyrazole;1,2-dimethylpyrrole;2-methylfuran;2-methyl-1,3-oxazole;2-methylpyrazine;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole?
2,5-dimethylfuran;1,5-dimethylpyrazole;1,2-dimethylpyrrole;2-methylfuran;2-methyl-1,3-oxazole;2-methylpyrazine;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole has a molecular weight of 833.12 g/mol, XLogP of 10.94, 0 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylfuran;1,5-dimethylpyrazole;1,2-dimethylpyrrole;2-methylfuran;2-methyl-1,3-oxazole;2-methylpyrazine;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole is sourced from PubChem (CID 157063733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).