2-methyl-1H-imidazole;5-methyl-1H-pyrazole;4-methylpyridine;4-methyl-2H-pyrrole;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole

C36H48N10S3 — CID 159973780

IUPAC2-methyl-1H-imidazole;5-methyl-1H-pyrazole;4-methylpyridine;4-methyl-2H-pyrrole;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole
SMILESCC1=CCC=N1.CC1=CCN=C1.Cc1ccn[nH]1.Cc1ccncc1.Cc1cncs1.Cc1cscn1.Cc1ncc[nH]1.Cc1nccs1
InChIInChI=1S/C6H7N.2C5H7N.2C4H6N2.3C4H5NS/c1-6-2-4-7-5-3-6;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-4-5-2-3-6-4;1-4-2-3-5-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4/h2-5H,1H3;2,4H,3H2,1H3;3-4H,2H2,1H3;2*2-3H,1H3,(H,5,6);3*2-3H,1H3
InChIKeyOEWVPCPJDZXXQS-UHFFFAOYSA-N
MW717.05 g/mol
LogP9.56
Rot. Bonds

About 2-methyl-1H-imidazole;5-methyl-1H-pyrazole;4-methylpyridine;4-methyl-2H-pyrrole;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole

2-methyl-1H-imidazole;5-methyl-1H-pyrazole;4-methylpyridine;4-methyl-2H-pyrrole;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole (PubChem CID 159973780) has the molecular formula C36H48N10S3 and a molecular weight of 717.05 g/mol. Its IUPAC name is 2-methyl-1H-imidazole;5-methyl-1H-pyrazole;4-methylpyridine;4-methyl-2H-pyrrole;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-1H-imidazole;5-methyl-1H-pyrazole;4-methylpyridine;4-methyl-2H-pyrrole;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole
PubChem CID159973780
Molecular FormulaC36H48N10S3
Molecular Weight717.05 g/mol
Exact Mass716.32
IUPAC Name2-methyl-1H-imidazole;5-methyl-1H-pyrazole;4-methylpyridine;4-methyl-2H-pyrrole;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole
SMILESCC1=CCC=N1.CC1=CCN=C1.Cc1ccn[nH]1.Cc1ccncc1.Cc1cncs1.Cc1cscn1.Cc1ncc[nH]1.Cc1nccs1
InChIInChI=1S/C6H7N.2C5H7N.2C4H6N2.3C4H5NS/c1-6-2-4-7-5-3-6;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-4-5-2-3-6-4;1-4-2-3-5-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4/h2-5H,1H3;2,4H,3H2,1H3;3-4H,2H2,1H3;2*2-3H,1H3,(H,5,6);3*2-3H,1H3
InChIKeyOEWVPCPJDZXXQS-UHFFFAOYSA-N
XLogP9.56
TPSA133.64 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms49
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500717.05
LogP ≤ 59.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 2-methyl-1H-imidazole;5-methyl-1H-pyrazole;4-methylpyridine;4-methyl-2H-pyrrole;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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Launch Full Analysis

Related Compounds

N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(1,3-thiazol-2-ylmethyl)-1,2-thiazol-5-amine
CID 145971147
US8927738, 5,8-Dimethyl-2-[2-(2-thiazol-5-yl-1H-imidazol-4-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 67258896
US8927738, 5,8-Dimethyl-2-[2-(2-thiazol-4-yl-1H-imidazol-4-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 71059359
US8927738, 5,8-Dimethyl-2-[2-(2-thiazol-2-yl-1H-imidazol-4-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 71059593
US20230339900, Example 16
CID 162760939
3-[4-[4-(1,3-Thiazol-2-yl)-3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl]pyrazol-1-yl]propanenitrile
CID 164614939
1,3-dimethyl-4-({2-[5-(1H-pyrazol-3-yl)-2-thienyl]-1H-imidazol-1-yl}methyl)-1H-pyrazole
CID 56751160
3-(5-{2-[2-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-1-yl]ethyl}-1H-1,2,4-triazol-3-yl)pyridine
CID 56872116
5-[(3S)-3-[2-fluoro-1-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]ethyl]pyrrolidin-1-yl]-1,3-thiazole-4-carbonitrile
CID 59589285
2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)pyrazol-3-yl]-8-methyl-7H-purin-6-amine
CID 68642378
5-[3-[2-fluoro-1-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]ethyl]pyrrolidin-1-yl]-1,3-thiazole-4-carbonitrile
CID 68775289
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 87097987

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1H-imidazole;5-methyl-1H-pyrazole;4-methylpyridine;4-methyl-2H-pyrrole;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole?
The IUPAC name of 2-methyl-1H-imidazole;5-methyl-1H-pyrazole;4-methylpyridine;4-methyl-2H-pyrrole;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole (CID 159973780) is 2-methyl-1H-imidazole;5-methyl-1H-pyrazole;4-methylpyridine;4-methyl-2H-pyrrole;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-methyl-1H-imidazole;5-methyl-1H-pyrazole;4-methylpyridine;4-methyl-2H-pyrrole;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole?
The canonical SMILES for 2-methyl-1H-imidazole;5-methyl-1H-pyrazole;4-methylpyridine;4-methyl-2H-pyrrole;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole is CC1=CCC=N1.CC1=CCN=C1.Cc1ccn[nH]1.Cc1ccncc1.Cc1cncs1.Cc1cscn1.Cc1ncc[nH]1.Cc1nccs1.
What is the InChIKey of 2-methyl-1H-imidazole;5-methyl-1H-pyrazole;4-methylpyridine;4-methyl-2H-pyrrole;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole?
The InChIKey is OEWVPCPJDZXXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N.2C5H7N.2C4H6N2.3C4H5NS/c1-6-2-4-7-5-3-6;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-4-5-2-3-6-4;1-4-2-3-5-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4/h2-5H,1H3;2,4H,3H2,1H3;3-4H,2H2,1H3;2*2-3H,1H3,(H,5,6);3*2-3H,1H3.
What are the key properties of 2-methyl-1H-imidazole;5-methyl-1H-pyrazole;4-methylpyridine;4-methyl-2H-pyrrole;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole?
2-methyl-1H-imidazole;5-methyl-1H-pyrazole;4-methylpyridine;4-methyl-2H-pyrrole;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole has a molecular weight of 717.05 g/mol, XLogP of 9.56, 0 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1H-imidazole;5-methyl-1H-pyrazole;4-methylpyridine;4-methyl-2H-pyrrole;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole is sourced from PubChem (CID 159973780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).