3,4-dimethyl-2H-pyrrole;5-methyl-1H-imidazol-2-amine;2-methyl-1H-imidazole;5-methyl-1H-pyrazole;4-methylpyridine;4-methyl-2H-pyrrole;5-methyl-3H-pyrrole;4-methyl-1,3-thiazol-2-amine;5-methyl-1,3-thiazol-2-amine;2-methyl-1,3-thiazole

C46H66N16S3 — CID 159284364

IUPAC3,4-dimethyl-2H-pyrrole;5-methyl-1H-imidazol-2-amine;2-methyl-1H-imidazole;5-methyl-1H-pyrazole;4-methylpyridine;4-methyl-2H-pyrrole;5-methyl-3H-pyrrole;4-methyl-1,3-thiazol-2-amine;5-methyl-1,3-thiazol-2-amine;2-methyl-1,3-thiazole
SMILESCC1=C(C)CN=C1.CC1=CCC=N1.CC1=CCN=C1.Cc1ccn[nH]1.Cc1ccncc1.Cc1cnc(N)[nH]1.Cc1cnc(N)s1.Cc1csc(N)n1.Cc1ncc[nH]1.Cc1nccs1
InChIInChI=1S/C6H9N.C6H7N.2C5H7N.C4H7N3.2C4H6N2S.2C4H6N2.C4H5NS/c1-5-3-7-4-6(5)2;1-6-2-4-7-5-3-6;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-3-2-6-4(5)7-3;1-3-2-7-4(5)6-3;1-3-2-6-4(5)7-3;1-4-5-2-3-6-4;1-4-2-3-5-6-4;1-4-5-2-3-6-4/h3H,4H2,1-2H3;2-5H,1H3;2,4H,3H2,1H3;3-4H,2H2,1H3;2H,1H3,(H3,5,6,7);2*2H,1H3,(H2,5,6);2*2-3H,1H3,(H,5,6);2-3H,1H3
InChIKeyKZHYAMOQLKGLES-UHFFFAOYSA-N
MW939.35 g/mol
LogP10.43
Rot. Bonds

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

3,4-dimethyl-2H-pyrrole;5-methyl-1H-imidazol-2-amine;2-methyl-1H-imidazole;5-methyl-1H-pyrazole;4-methylpyridine;4-methyl-2H-pyrrole;5-methyl-3H-pyrrole;4-methyl-1,3-thiazol-2-amine;5-methyl-1,3-thiazol-2-amine;2-methyl-1,3-thiazole (PubChem CID 159284364) has the molecular formula C46H66N16S3 and a molecular weight of 939.35 g/mol. Its IUPAC name is 3,4-dimethyl-2H-pyrrole;5-methyl-1H-imidazol-2-amine;2-methyl-1H-imidazole;5-methyl-1H-pyrazole;4-methylpyridine;4-methyl-2H-pyrrole;5-methyl-3H-pyrrole;4-methyl-1,3-thiazol-2-amine;5-methyl-1,3-thiazol-2-amine;2-methyl-1,3-thiazole.

Molecular Properties

Compound Name3,4-dimethyl-2H-pyrrole;5-methyl-1H-imidazol-2-amine;2-methyl-1H-imidazole;5-methyl-1H-pyrazole;4-methylpyridine;4-methyl-2H-pyrrole;5-methyl-3H-pyrrole;4-methyl-1,3-thiazol-2-amine;5-methyl-1,3-thiazol-2-amine;2-methyl-1,3-thiazole
PubChem CID159284364
Molecular FormulaC46H66N16S3
Molecular Weight939.35 g/mol
Exact Mass938.48
IUPAC Name3,4-dimethyl-2H-pyrrole;5-methyl-1H-imidazol-2-amine;2-methyl-1H-imidazole;5-methyl-1H-pyrazole;4-methylpyridine;4-methyl-2H-pyrrole;5-methyl-3H-pyrrole;4-methyl-1,3-thiazol-2-amine;5-methyl-1,3-thiazol-2-amine;2-methyl-1,3-thiazole
SMILESCC1=C(C)CN=C1.CC1=CCC=N1.CC1=CCN=C1.Cc1ccn[nH]1.Cc1ccncc1.Cc1cnc(N)[nH]1.Cc1cnc(N)s1.Cc1csc(N)n1.Cc1ncc[nH]1.Cc1nccs1
InChIInChI=1S/C6H9N.C6H7N.2C5H7N.C4H7N3.2C4H6N2S.2C4H6N2.C4H5NS/c1-5-3-7-4-6(5)2;1-6-2-4-7-5-3-6;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-3-2-6-4(5)7-3;1-3-2-7-4(5)6-3;1-3-2-6-4(5)7-3;1-4-5-2-3-6-4;1-4-2-3-5-6-4;1-4-5-2-3-6-4/h3H,4H2,1-2H3;2-5H,1H3;2,4H,3H2,1H3;3-4H,2H2,1H3;2H,1H3,(H3,5,6,7);2*2H,1H3,(H2,5,6);2*2-3H,1H3,(H,5,6);2-3H,1H3
InChIKeyKZHYAMOQLKGLES-UHFFFAOYSA-N
XLogP10.43
TPSA252.74 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds
Heavy Atoms65
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500939.35
LogP ≤ 510.43
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Analyze 3,4-dimethyl-2H-pyrrole;5-methyl-1H-imidazol-2-amine;2-methyl-1H-imidazole;5-methyl-1H-pyrazole;4-methylpyridine;4-methyl-2H-pyrrole;5-methyl-3H-pyrrole;4-methyl-1,3-thiazol-2-amine;5-methyl-1,3-thiazol-2-amine;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

N-(5-methyl-2-pyridinyl)-4-[1-(1H-pyrazol-5-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-amine
CID 91800755
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-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
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
2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)pyrazol-3-yl]-8-methyl-7H-purin-6-amine
CID 68642378
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
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
1-ethyl-3-[5-[5-(5-methyl-1H-imidazol-2-yl)-4-(2-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]urea
CID 141248032
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
7-(5-fluorothiophen-2-yl)-2-[(5E)-4-methylidene-5-[(E)-3-(1H-pyrazol-4-yl)but-2-enylidene]-1H-pyrazol-3-yl]-3H-imidazo[4,5-c]pyridine
CID 145248787

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-2H-pyrrole;5-methyl-1H-imidazol-2-amine;2-methyl-1H-imidazole;5-methyl-1H-pyrazole;4-methylpyridine;4-methyl-2H-pyrrole;5-methyl-3H-pyrrole;4-methyl-1,3-thiazol-2-amine;5-methyl-1,3-thiazol-2-amine;2-methyl-1,3-thiazole?
The IUPAC name of 3,4-dimethyl-2H-pyrrole;5-methyl-1H-imidazol-2-amine;2-methyl-1H-imidazole;5-methyl-1H-pyrazole;4-methylpyridine;4-methyl-2H-pyrrole;5-methyl-3H-pyrrole;4-methyl-1,3-thiazol-2-amine;5-methyl-1,3-thiazol-2-amine;2-methyl-1,3-thiazole (CID 159284364) is 3,4-dimethyl-2H-pyrrole;5-methyl-1H-imidazol-2-amine;2-methyl-1H-imidazole;5-methyl-1H-pyrazole;4-methylpyridine;4-methyl-2H-pyrrole;5-methyl-3H-pyrrole;4-methyl-1,3-thiazol-2-amine;5-methyl-1,3-thiazol-2-amine;2-methyl-1,3-thiazole.
What is the SMILES notation for 3,4-dimethyl-2H-pyrrole;5-methyl-1H-imidazol-2-amine;2-methyl-1H-imidazole;5-methyl-1H-pyrazole;4-methylpyridine;4-methyl-2H-pyrrole;5-methyl-3H-pyrrole;4-methyl-1,3-thiazol-2-amine;5-methyl-1,3-thiazol-2-amine;2-methyl-1,3-thiazole?
The canonical SMILES for 3,4-dimethyl-2H-pyrrole;5-methyl-1H-imidazol-2-amine;2-methyl-1H-imidazole;5-methyl-1H-pyrazole;4-methylpyridine;4-methyl-2H-pyrrole;5-methyl-3H-pyrrole;4-methyl-1,3-thiazol-2-amine;5-methyl-1,3-thiazol-2-amine;2-methyl-1,3-thiazole is CC1=C(C)CN=C1.CC1=CCC=N1.CC1=CCN=C1.Cc1ccn[nH]1.Cc1ccncc1.Cc1cnc(N)[nH]1.Cc1cnc(N)s1.Cc1csc(N)n1.Cc1ncc[nH]1.Cc1nccs1.
What is the InChIKey of 3,4-dimethyl-2H-pyrrole;5-methyl-1H-imidazol-2-amine;2-methyl-1H-imidazole;5-methyl-1H-pyrazole;4-methylpyridine;4-methyl-2H-pyrrole;5-methyl-3H-pyrrole;4-methyl-1,3-thiazol-2-amine;5-methyl-1,3-thiazol-2-amine;2-methyl-1,3-thiazole?
The InChIKey is KZHYAMOQLKGLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N.C6H7N.2C5H7N.C4H7N3.2C4H6N2S.2C4H6N2.C4H5NS/c1-5-3-7-4-6(5)2;1-6-2-4-7-5-3-6;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-3-2-6-4(5)7-3;1-3-2-7-4(5)6-3;1-3-2-6-4(5)7-3;1-4-5-2-3-6-4;1-4-2-3-5-6-4;1-4-5-2-3-6-4/h3H,4H2,1-2H3;2-5H,1H3;2,4H,3H2,1H3;3-4H,2H2,1H3;2H,1H3,(H3,5,6,7);2*2H,1H3,(H2,5,6);2*2-3H,1H3,(H,5,6);2-3H,1H3.
What are the key properties of 3,4-dimethyl-2H-pyrrole;5-methyl-1H-imidazol-2-amine;2-methyl-1H-imidazole;5-methyl-1H-pyrazole;4-methylpyridine;4-methyl-2H-pyrrole;5-methyl-3H-pyrrole;4-methyl-1,3-thiazol-2-amine;5-methyl-1,3-thiazol-2-amine;2-methyl-1,3-thiazole?
3,4-dimethyl-2H-pyrrole;5-methyl-1H-imidazol-2-amine;2-methyl-1H-imidazole;5-methyl-1H-pyrazole;4-methylpyridine;4-methyl-2H-pyrrole;5-methyl-3H-pyrrole;4-methyl-1,3-thiazol-2-amine;5-methyl-1,3-thiazol-2-amine;2-methyl-1,3-thiazole has a molecular weight of 939.35 g/mol, XLogP of 10.43, 0 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-2H-pyrrole;5-methyl-1H-imidazol-2-amine;2-methyl-1H-imidazole;5-methyl-1H-pyrazole;4-methylpyridine;4-methyl-2H-pyrrole;5-methyl-3H-pyrrole;4-methyl-1,3-thiazol-2-amine;5-methyl-1,3-thiazol-2-amine;2-methyl-1,3-thiazole is sourced from PubChem (CID 159284364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).