benzene;2-methylfuran;2-methyl-1H-imidazole;2-methylpyrazine;4-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;2-methylthiophene

C51H62N10OS2 — CID 158926705

IUPACbenzene;2-methylfuran;2-methyl-1H-imidazole;2-methylpyrazine;4-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;2-methylthiophene
SMILESCc1ccccn1.Cc1cccnc1.Cc1ccco1.Cc1cccs1.Cc1ccncc1.Cc1cn[nH]c1.Cc1cnccn1.Cc1ncc[nH]1.Cc1nccs1.c1ccccc1
InChIInChI=1S/3C6H7N.C6H6.C5H6N2.C5H6O.C5H6S.2C4H6N2.C4H5NS/c1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-2-4-6-5-3-1;1-5-4-6-2-3-7-5;2*1-5-3-2-4-6-5;1-4-2-5-6-3-4;2*1-4-5-2-3-6-4/h3*2-5H,1H3;1-6H;2-4H,1H3;2*2-4H,1H3;2*2-3H,1H3,(H,5,6);2-3H,1H3
InChIKeyJINOQJYDGPYMLY-UHFFFAOYSA-N
MW895.26 g/mol
LogP13.17
Rot. Bonds

About benzene;2-methylfuran;2-methyl-1H-imidazole;2-methylpyrazine;4-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;2-methylthiophene

benzene;2-methylfuran;2-methyl-1H-imidazole;2-methylpyrazine;4-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;2-methylthiophene (PubChem CID 158926705) has the molecular formula C51H62N10OS2 and a molecular weight of 895.26 g/mol. Its IUPAC name is benzene;2-methylfuran;2-methyl-1H-imidazole;2-methylpyrazine;4-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;2-methylthiophene.

Molecular Properties

Compound Namebenzene;2-methylfuran;2-methyl-1H-imidazole;2-methylpyrazine;4-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;2-methylthiophene
PubChem CID158926705
Molecular FormulaC51H62N10OS2
Molecular Weight895.26 g/mol
Exact Mass894.45
IUPAC Namebenzene;2-methylfuran;2-methyl-1H-imidazole;2-methylpyrazine;4-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;2-methylthiophene
SMILESCc1ccccn1.Cc1cccnc1.Cc1ccco1.Cc1cccs1.Cc1ccncc1.Cc1cn[nH]c1.Cc1cnccn1.Cc1ncc[nH]1.Cc1nccs1.c1ccccc1
InChIInChI=1S/3C6H7N.C6H6.C5H6N2.C5H6O.C5H6S.2C4H6N2.C4H5NS/c1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-2-4-6-5-3-1;1-5-4-6-2-3-7-5;2*1-5-3-2-4-6-5;1-4-2-5-6-3-4;2*1-4-5-2-3-6-4/h3*2-5H,1H3;1-6H;2-4H,1H3;2*2-4H,1H3;2*2-3H,1H3,(H,5,6);2-3H,1H3
InChIKeyJINOQJYDGPYMLY-UHFFFAOYSA-N
XLogP13.17
TPSA147.84 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500895.26
LogP ≤ 513.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze benzene;2-methylfuran;2-methyl-1H-imidazole;2-methylpyrazine;4-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;2-methylthiophene with MolForge

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Launch Full Analysis

Related Compounds

N-(furan-2-ylmethyl)-2-methyl-7H-purin-6-amine;N-(furan-2-ylmethyl)-2-(trifluoromethyl)-7H-purin-6-amine;N-[(2-methylpyrazol-3-yl)methyl]-7H-purin-6-amine;4-[(7H-purin-6-ylamino)methyl]benzonitrile;N-(1,3-thiazol-5-ylmethyl)-7H-purin-6-amine
CID 159208500
1-cyclopentyl-4-propan-2-ylpyrazole;2,4-dimethyl-3-propan-2-ylfuran;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;(3S)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,4-di(propan-2-yl)pyrazole;2-(3-fluoro-3-methylpyrrolidin-1-yl)-4-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;(3S)-3-fluoro-1-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylpyrazole;bis(1-methyl-4-propan-2-ylpyrazole);1-methyl-2-propan-2-ylpyrrole;3-methyl-4-propan-2-yl-2H-pyrrole;5-methyl-4-propan-2-yl-2H-pyrrole;2-[(3R)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;2-[(3S)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;1-phenyl-4-propan-2-ylpyrazole;4-propan-2-yl-1-propylpyrazole;2-propan-2-yl-6-(trifluoromethyl)pyridine;4-propan-2-yl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine;bis(1,3,5-trimethyl-4-propan-2-ylpyrazole)
CID 159633434
2-tert-butyl-5-cyclopropylthiophene;4-tert-butyl-2-(2,2-difluoropropyl)triazole;4-tert-butyl-2,5-dimethyl-1,3-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;2-tert-butyl-4-methyl-1,3-thiazole;5-tert-butylpyrimidine;cumene;2-cyclopropyl-5-propan-2-yl-3H-pyrrole;3,4-dimethyl-1-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-ylpyrazole;2,4-dimethyl-1-propan-2-ylpyrrole;N,N-dimethyl-1-(1-propan-2-yl-1,2,4-triazol-3-yl)methanamine;3-propan-2-ylfuran;1-propan-2-ylimidazole;4-propan-2-yl-1-propylpyrazole;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-3H-pyrrole
CID 161130887
N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]phenyl]-2-[5-[[4-(methylamino)-1-[3-[[2-[1-[[4-(methylamino)-1-[2-[[2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]phenyl]piperidine-4-carbonyl]amino]pyrazol-4-yl]-1,3-thiazole-4-carbonyl]amino]-2-pyridinyl]piperidine-4-carbonyl]amino]furan-3-yl]-1,3-thiazole-4-carboxamide
CID 126661645
2-[3-[2-[6-[3-(furan-2-yl)-5-pyrazin-2-yl-4-pyrimidin-2-yl-2-pyridinyl]-5-phenyl-4-(1H-pyrrol-2-ylsulfanyl)pyridazin-3-yl]-1H-imidazol-5-yl]-1H-pyrazol-4-yl]-4-(1,3-thiazol-2-yl)-1,3-oxazole
CID 136499328
2-[4-(1,3-diazinan-1-yl)-5-(furan-2-yl)-2-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-1-pyridin-2-ylthiophen-3-yl]pyrimidine
CID 140996912
2-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-5-pyridin-2-yl-2-pyrimidin-2-yl-3H-pyrrol-4-yl]-1,3-thiazole
CID 140998060
1-(furan-2-yl)-4-(1H-imidazol-2-yl)-1-naphthalen-1-yl-1-phenyl-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-thiazole
CID 141006443
2-[1-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-pyridin-2-ylpyrazol-3-yl]-1,3-thiazole
CID 141013788
2-[1-(furan-2-yl)-6-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5-pyridin-2-yl-2H-pyrimidin-4-yl]-1,3-thiazole
CID 141031533
2-[2-(1-benzofuran-2-yl)-6-(1H-imidazol-2-yl)-3-(1H-pyrazol-3-yl)-5-pyridin-2-yl-4-pyrimidin-2-yl-1-benzothiophen-7-yl]-1,3-thiazole
CID 141050980
2-[5-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-(1H-pyrazol-5-yl)-2-pyridazin-3-yl-1-pyridin-2-yl-1-(1H-pyrrol-2-yl)-4-(2H-triazol-4-yl)thiophen-3-yl]pyrimidine
CID 141068317

Frequently Asked Questions

What is the IUPAC name of benzene;2-methylfuran;2-methyl-1H-imidazole;2-methylpyrazine;4-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;2-methylthiophene?
The IUPAC name of benzene;2-methylfuran;2-methyl-1H-imidazole;2-methylpyrazine;4-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;2-methylthiophene (CID 158926705) is benzene;2-methylfuran;2-methyl-1H-imidazole;2-methylpyrazine;4-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;2-methylthiophene.
What is the SMILES notation for benzene;2-methylfuran;2-methyl-1H-imidazole;2-methylpyrazine;4-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;2-methylthiophene?
The canonical SMILES for benzene;2-methylfuran;2-methyl-1H-imidazole;2-methylpyrazine;4-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;2-methylthiophene is Cc1ccccn1.Cc1cccnc1.Cc1ccco1.Cc1cccs1.Cc1ccncc1.Cc1cn[nH]c1.Cc1cnccn1.Cc1ncc[nH]1.Cc1nccs1.c1ccccc1.
What is the InChIKey of benzene;2-methylfuran;2-methyl-1H-imidazole;2-methylpyrazine;4-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;2-methylthiophene?
The InChIKey is JINOQJYDGPYMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H7N.C6H6.C5H6N2.C5H6O.C5H6S.2C4H6N2.C4H5NS/c1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-2-4-6-5-3-1;1-5-4-6-2-3-7-5;2*1-5-3-2-4-6-5;1-4-2-5-6-3-4;2*1-4-5-2-3-6-4/h3*2-5H,1H3;1-6H;2-4H,1H3;2*2-4H,1H3;2*2-3H,1H3,(H,5,6);2-3H,1H3.
What are the key properties of benzene;2-methylfuran;2-methyl-1H-imidazole;2-methylpyrazine;4-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;2-methylthiophene?
benzene;2-methylfuran;2-methyl-1H-imidazole;2-methylpyrazine;4-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;2-methylthiophene has a molecular weight of 895.26 g/mol, XLogP of 13.17, 0 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;2-methylfuran;2-methyl-1H-imidazole;2-methylpyrazine;4-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;2-methylthiophene is sourced from PubChem (CID 158926705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).