ethane;1H-imidazole;methane;1-methylimidazole;2-methylpyrazine;bis(1-methylpyrazole);3-methylpyridazine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;1H-pyrrole;1,3-thiazole;thiophene

C96H190N20S2 — CID 157090702

IUPACethane;1H-imidazole;methane;1-methylimidazole;2-methylpyrazine;bis(1-methylpyrazole);3-methylpyridazine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;1H-pyrrole;1,3-thiazole;thiophene
SMILESC.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cccnc1.Cc1cccnn1.Cc1ccncc1.Cc1ccncn1.Cc1cnccn1.Cc1ncccn1.Cn1cccn1.Cn1cccn1.Cn1ccnc1.c1c[nH]cn1.c1cc[nH]c1.c1ccsc1.c1cscn1
InChIInChI=1S/2C6H7N.4C5H6N2.3C4H6N2.C4H5N.C4H4S.C3H4N2.C3H3NS.17C2H6.4CH4/c1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-5-4-6-2-3-7-5;1-5-2-3-6-4-7-5;1-5-6-3-2-4-7-5;1-5-3-2-4-6-7-5;1-6-3-2-5-4-6;2*1-6-4-2-3-5-6;2*1-2-4-5-3-1;2*1-2-5-3-4-1;17*1-2;;;;/h2*2-5H,1H3;4*2-4H,1H3;3*2-4H,1H3;1-5H;1-4H;1-3H,(H,4,5);1-3H;17*1-2H3;4*1H4
InChIKeyAEPZRMWLMFOUFY-UHFFFAOYSA-N
MW1688.85 g/mol
LogP31.49
Rot. Bonds

About ethane;1H-imidazole;methane;1-methylimidazole;2-methylpyrazine;bis(1-methylpyrazole);3-methylpyridazine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;1H-pyrrole;1,3-thiazole;thiophene

ethane;1H-imidazole;methane;1-methylimidazole;2-methylpyrazine;bis(1-methylpyrazole);3-methylpyridazine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;1H-pyrrole;1,3-thiazole;thiophene (PubChem CID 157090702) has the molecular formula C96H190N20S2 and a molecular weight of 1688.85 g/mol. Its IUPAC name is ethane;1H-imidazole;methane;1-methylimidazole;2-methylpyrazine;bis(1-methylpyrazole);3-methylpyridazine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;1H-pyrrole;1,3-thiazole;thiophene.

Molecular Properties

Compound Nameethane;1H-imidazole;methane;1-methylimidazole;2-methylpyrazine;bis(1-methylpyrazole);3-methylpyridazine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;1H-pyrrole;1,3-thiazole;thiophene
PubChem CID157090702
Molecular FormulaC96H190N20S2
Molecular Weight1688.85 g/mol
Exact Mass1687.49
IUPAC Nameethane;1H-imidazole;methane;1-methylimidazole;2-methylpyrazine;bis(1-methylpyrazole);3-methylpyridazine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;1H-pyrrole;1,3-thiazole;thiophene
SMILESC.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cccnc1.Cc1cccnn1.Cc1ccncc1.Cc1ccncn1.Cc1cnccn1.Cc1ncccn1.Cn1cccn1.Cn1cccn1.Cn1ccnc1.c1c[nH]cn1.c1cc[nH]c1.c1ccsc1.c1cscn1
InChIInChI=1S/2C6H7N.4C5H6N2.3C4H6N2.C4H5N.C4H4S.C3H4N2.C3H3NS.17C2H6.4CH4/c1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-5-4-6-2-3-7-5;1-5-2-3-6-4-7-5;1-5-6-3-2-4-7-5;1-5-3-2-4-6-7-5;1-6-3-2-5-4-6;2*1-6-4-2-3-5-6;2*1-2-4-5-3-1;2*1-2-5-3-4-1;17*1-2;;;;/h2*2-5H,1H3;4*2-4H,1H3;3*2-4H,1H3;1-5H;1-4H;1-3H,(H,4,5);1-3H;17*1-2H3;4*1H4
InChIKeyAEPZRMWLMFOUFY-UHFFFAOYSA-N
XLogP31.49
TPSA239.72 Ų
H-Bond Donors2
H-Bond Acceptors20
Rotatable Bonds
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001688.85
LogP ≤ 531.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1020

Analyze ethane;1H-imidazole;methane;1-methylimidazole;2-methylpyrazine;bis(1-methylpyrazole);3-methylpyridazine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;1H-pyrrole;1,3-thiazole;thiophene 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

5-fluoro-N-(5-fluoro-2-pyridinyl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-pyridin-2-yl-4-[5-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]-1,3-thiazol-2-amine
CID 88922364
2-[4-[2-[[3-[7-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-4-ethyl-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]pyrazol-1-yl]methyl]-4-ethyl-5-(1-methylpyrazol-3-yl)-4H-[1,2,4]triazolo[4,3-f]pteridin-10-ium-7-yl]-1-methylpyrazol-3-yl]-1,3-thiazole
CID 123481644
5-(1-piperidin-4-ylpyrazol-4-yl)-3-[5-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-imidazol-2-yl]pyridin-2-amine
CID 141450023
3-[(3R)-3-[[1-[(5R)-1-(2-cyanoacetyl)-5-[[1-[(5R)-1-(2-cyanoacetyl)-5-[[5-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-3-yl]-5-(2-methyl-1,3-thiazol-5-yl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-3-yl]-5-[1-(difluoromethyl)pyrazol-3-yl]pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile
CID 155258748
5-(2-cyclopropylpyrimidin-4-yl)-2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazole;N-ethyl-5-[2-pyridin-1-ium-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazole-1-carboxamide;N-ethyl-3-[2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazole-1-carboxamide;2-pyridin-3-yl-5-(2-pyridin-2-ylpyrimidin-4-yl)-4-(trifluoromethyl)-1,3-thiazole;2-pyridin-3-yl-5-(2-pyrimidin-2-ylpyrimidin-4-yl)-4-(trifluoromethyl)-1,3-thiazole;2-pyridin-3-yl-5-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-4-(trifluoromethyl)-1,3-thiazole
CID 158656881
tris(3,5-dimethylpyridin-2-amine);4,5-dimethylpyridin-2-amine;N,5-dimethylpyridin-2-amine;5,6-dimethylpyridin-2-amine;4,5-dimethyl-1,3-thiazol-2-amine;N,5-dimethyl-1,3-thiazol-2-amine;3-fluoro-5-methylpyridin-2-amine;4-fluoro-5-methylpyridin-2-amine;4-fluoro-5-methylpyrimidin-2-amine;5-methylpyrazin-2-amine;6-methylpyridazin-3-amine;2-methylpyridin-3-amine;2-methylpyridin-4-amine;4-methylpyridin-2-amine;5-methylpyridin-2-amine;5-methylpyridin-3-amine;6-methylpyridin-3-amine;N-(5-methyl-2-pyridinyl)acetamide;2-methylpyrimidin-5-amine;5-methylpyrimidin-2-amine;4-methyl-1,3-thiazol-2-amine;5-methyl-1,3-thiazol-2-amine;5-methyl-4-(trifluoromethyl)pyrimidin-2-amine;N,N,5-trimethyl-1,3-thiazol-2-amine
CID 160308173
6-tert-butyl-2,3-dihydroimidazo[2,1-b][1,3]thiazole;2-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[2,1-b][1,3,4]thiadiazole;6-tert-butylimidazo[2,1-b][1,3]thiazole;6-tert-butylimidazo[1,2-d]thiatriazole;4-tert-butyl-5-methyl-1H-pyrazole;4-tert-butyl-2-methylpyrimidine;7-tert-butylpyrazolo[1,5-a]pyrimidine;4-tert-butylpyrimidin-2-amine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine;7-tert-butyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine
CID 160547492
tris(3,5-dimethylpyridin-2-amine);4,5-dimethylpyridin-2-amine;N,5-dimethylpyridin-2-amine;5,6-dimethylpyridin-2-amine;bis(4,5-dimethyl-1,3-thiazol-2-amine);N,5-dimethyl-1,3-thiazol-2-amine;3-fluoro-5-methylpyridin-2-amine;4-fluoro-5-methylpyridin-2-amine;4-fluoro-5-methylpyrimidin-2-amine;5-methylpyrazin-2-amine;6-methylpyridazin-3-amine;2-methylpyridin-3-amine;2-methylpyridin-4-amine;4-methylpyridin-2-amine;5-methylpyridin-2-amine;5-methylpyridin-3-amine;6-methylpyridin-3-amine;N-(5-methyl-2-pyridinyl)acetamide;2-methylpyrimidin-5-amine;5-methylpyrimidin-2-amine;5-methyl-1,3,4-thiadiazol-2-amine;4-methyl-1,3-thiazol-2-amine;5-methyl-1,3-thiazol-2-amine;4-methylthiophen-2-amine;5-methylthiophen-2-amine;5-methyl-4-(trifluoromethyl)pyrimidin-2-amine;N,N,5-trimethyl-1,3-thiazol-2-amine
CID 161831359
4-[5-(dimethylamino)-1H-pyrazol-4-yl]-N-(4-methylpyrimidin-2-yl)-1,3-thiazol-2-amine;N-(4-methylpyrimidin-2-yl)-4-(5-piperidin-1-yl-1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-5-(trifluoromethyl)-1,3-thiazol-2-amine;4-(1H-pyrazol-4-yl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine
CID 173006361
5-[3-[7-[3-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1,6-dihydropyrazolo[5,4-b]pyridin-7-yl]-5-methylthiophen-2-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]pyridin-3-amine
CID 162602273
5-[3-[7-[4-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-(3H-imidazo[4,5-c]pyridin-2-yl)-1,6-dihydropyrazolo[5,4-b]pyridin-7-yl]thiophen-3-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]pyridin-3-amine
CID 162602275
4-(1-methyl-1H-pyrazol-4-yl)-5-{[1-(1,3-thiazol-2-yl)-1H-pyrrol-2-yl]methyl}-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
CID 56721119

Frequently Asked Questions

What is the IUPAC name of ethane;1H-imidazole;methane;1-methylimidazole;2-methylpyrazine;bis(1-methylpyrazole);3-methylpyridazine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;1H-pyrrole;1,3-thiazole;thiophene?
The IUPAC name of ethane;1H-imidazole;methane;1-methylimidazole;2-methylpyrazine;bis(1-methylpyrazole);3-methylpyridazine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;1H-pyrrole;1,3-thiazole;thiophene (CID 157090702) is ethane;1H-imidazole;methane;1-methylimidazole;2-methylpyrazine;bis(1-methylpyrazole);3-methylpyridazine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;1H-pyrrole;1,3-thiazole;thiophene.
What is the SMILES notation for ethane;1H-imidazole;methane;1-methylimidazole;2-methylpyrazine;bis(1-methylpyrazole);3-methylpyridazine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;1H-pyrrole;1,3-thiazole;thiophene?
The canonical SMILES for ethane;1H-imidazole;methane;1-methylimidazole;2-methylpyrazine;bis(1-methylpyrazole);3-methylpyridazine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;1H-pyrrole;1,3-thiazole;thiophene is C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cccnc1.Cc1cccnn1.Cc1ccncc1.Cc1ccncn1.Cc1cnccn1.Cc1ncccn1.Cn1cccn1.Cn1cccn1.Cn1ccnc1.c1c[nH]cn1.c1cc[nH]c1.c1ccsc1.c1cscn1.
What is the InChIKey of ethane;1H-imidazole;methane;1-methylimidazole;2-methylpyrazine;bis(1-methylpyrazole);3-methylpyridazine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;1H-pyrrole;1,3-thiazole;thiophene?
The InChIKey is AEPZRMWLMFOUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H7N.4C5H6N2.3C4H6N2.C4H5N.C4H4S.C3H4N2.C3H3NS.17C2H6.4CH4/c1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-5-4-6-2-3-7-5;1-5-2-3-6-4-7-5;1-5-6-3-2-4-7-5;1-5-3-2-4-6-7-5;1-6-3-2-5-4-6;2*1-6-4-2-3-5-6;2*1-2-4-5-3-1;2*1-2-5-3-4-1;17*1-2;;;;/h2*2-5H,1H3;4*2-4H,1H3;3*2-4H,1H3;1-5H;1-4H;1-3H,(H,4,5);1-3H;17*1-2H3;4*1H4.
What are the key properties of ethane;1H-imidazole;methane;1-methylimidazole;2-methylpyrazine;bis(1-methylpyrazole);3-methylpyridazine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;1H-pyrrole;1,3-thiazole;thiophene?
ethane;1H-imidazole;methane;1-methylimidazole;2-methylpyrazine;bis(1-methylpyrazole);3-methylpyridazine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;1H-pyrrole;1,3-thiazole;thiophene has a molecular weight of 1688.85 g/mol, XLogP of 31.49, 0 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1H-imidazole;methane;1-methylimidazole;2-methylpyrazine;bis(1-methylpyrazole);3-methylpyridazine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;1H-pyrrole;1,3-thiazole;thiophene is sourced from PubChem (CID 157090702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).